data_1v38_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 1v38 _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 ' 13' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.459 ' CG2' ' HG3' ' A' ' 17' ' ' GLU . 14.9 t -94.35 154.27 17.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -62.52 -41.41 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -53.64 -42.88 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 48.4 mt-10 -84.24 -34.04 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.569 ' CE1' HD11 ' A' ' 71' ' ' LEU . 3.6 t80 -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 31' ' ' LEU . 93.8 mt -87.57 -39.61 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.524 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 39.6 mm-40 -53.58 -37.06 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.403 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -65.48 -37.3 86.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.426 HD12 ' CD1' ' A' ' 24' ' ' LEU . 6.9 pt -98.04 8.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 53.65 40.36 31.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.426 ' CD1' HD12 ' A' ' 22' ' ' ILE . 33.5 mt -120.48 17.59 12.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.524 ' NE2' ' CD ' ' A' ' 20' ' ' GLU . 17.1 pt20 -58.1 -13.5 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 10.2 pt-20 -65.41 -14.62 61.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 88.4 m-85 -104.29 0.61 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' LEU . 88.1 m -46.06 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 p -39.54 -51.14 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.427 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 18.4 m -54.21 -38.93 66.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 19' ' ' LEU . 9.7 mt -75.75 -54.67 6.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 mt -54.15 -57.95 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 mp -48.88 -44.84 40.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.4 m-80 -63.49 -26.24 68.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.55 -27.51 3.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 98.9 m-85 -63.68 92.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' HD12 ' A' ' 15' ' ' ILE . 17.8 mt-10 -93.59 -42.4 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -134.16 162.68 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 6.7 mt -41.89 -40.79 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -40.85 -42.53 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 5.2 m-20 -75.46 -36.32 60.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.474 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 22.4 mt -62.45 -29.17 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -59.0 -11.86 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -108.79 -13.23 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -69.4 147.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -131.22 -179.5 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -57.58 -48.08 80.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -57.98 -50.08 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -44.4 -56.16 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 61' ' ' ARG . 28.2 mt -48.37 -48.6 36.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.422 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 61.6 mt -53.38 -46.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.24 -21.4 63.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -87.37 21.12 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 t30 74.69 25.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 9.3 mt -110.82 30.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.416 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.4 -22.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.2 m-20 -75.13 133.18 75.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -38.99 6.98 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.91 -44.94 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.463 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.2 m-20 -75.94 -48.82 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.469 ' CB ' HD13 ' A' ' 50' ' ' LEU . 64.2 mtm-85 -50.25 -58.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.81 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -57.04 -28.52 62.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.46 ' CD1' HD23 ' A' ' 50' ' ' LEU . 2.2 tt -79.93 -46.09 17.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.6 -60.5 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.5 t -47.03 -40.16 14.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.73 61.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.18 85.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.08 -45.95 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -60.09 -42.99 95.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 18' ' ' PHE . 6.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.0 tp-100 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 t -99.09 149.63 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.425 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -53.58 -49.68 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.548 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 2.0 mp0 -40.68 -68.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -64.42 -40.97 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 42' ' ' LEU . 2.7 t80 -55.18 -24.85 28.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 31' ' ' LEU . 90.0 mt -92.68 -39.29 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.87 -29.26 11.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -73.81 -34.83 64.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 pt -98.92 12.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 49.55 39.8 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.2 mt -119.71 13.32 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -53.75 -16.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.01 -17.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.594 ' CE2' ' OD2' ' A' ' 60' ' ' ASP . 96.4 m-85 -100.91 -9.38 21.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.8 m -38.57 -72.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 p -39.91 -50.52 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.468 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 42.3 m -54.8 -37.03 65.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.0 mt -77.04 -45.32 27.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 35' ' ' GLY . 85.4 mt -63.92 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.66 -35.59 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -73.1 -32.63 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 142.51 -33.15 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -58.7 96.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' C ' HD13 ' A' ' 15' ' ' ILE . 75.8 mt-10 -94.78 -44.62 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -133.73 166.15 23.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 7.5 mt -45.93 -41.75 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -41.64 -33.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.42 -33.34 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 18' ' ' PHE . 24.7 mt -64.86 -21.16 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -63.91 -10.39 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.99 -4.88 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.412 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 6.3 tt -77.74 145.12 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 176.59 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.2 -42.09 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.3 p -62.56 -50.5 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.411 ' CB ' HG13 ' A' ' 45' ' ' ILE . 61.1 m80 -44.35 -53.95 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 64' ' ' LEU . 21.4 mt -49.67 -47.98 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 70.0 mt -52.41 -53.46 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.25 -22.0 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.28 19.17 2.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 m120 74.81 25.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 60' ' ' ASP . 9.4 mt -109.46 28.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.53 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.5 m-20 -77.28 132.22 70.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.87 28.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -53.0 -49.6 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 43.2 t0 -76.09 -46.47 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 66.0 mtm-85 -51.27 -59.63 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.88 -55.76 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -56.05 -36.19 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 50' ' ' LEU . 1.3 tt -72.82 -35.7 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.65 -60.75 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.401 ' HA ' ' CD ' ' A' ' 69' ' ' GLU . 17.9 m -57.43 -18.84 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.44 -55.4 4.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.54 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 70' ' ' SER . 9.6 pt-20 -67.02 -48.06 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.476 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 t -57.17 -36.86 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 2.4 tp-100 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 t -97.68 136.99 37.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 38' ' ' THR . 1.5 mp -44.69 -51.93 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' ILE . 29.9 mm-40 -37.94 -64.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.06 -47.26 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 71' ' ' LEU . 3.0 t80 -47.7 -29.31 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 31' ' ' LEU . 95.3 mt -88.05 -43.92 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -48.57 -34.15 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 4.8 ptm180 -68.5 -43.25 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 15.1 pt -91.32 1.28 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 64.06 41.15 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 27' ' ' TYR . 4.0 mm? -114.83 8.66 16.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -51.47 -22.48 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 13.9 pt-20 -61.08 -9.32 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 24' ' ' LEU . 96.0 m-85 -112.46 -9.7 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 27' ' ' TYR . 78.8 m -36.99 -71.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -44.74 -47.06 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.449 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 19.6 m -58.26 -30.21 66.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -83.5 -51.55 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' GLY . 55.0 mt -57.76 -59.04 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -46.13 -37.91 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.6 m-80 -72.42 -28.35 62.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.18 -34.35 2.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.444 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 97.3 m-85 -56.06 93.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' HD11 ' A' ' 15' ' ' ILE . 22.8 mt-10 -94.58 -42.07 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.4 p -134.11 166.42 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 3.8 mt -44.94 -41.89 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -41.09 -36.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.477 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 2.8 m-20 -78.49 -37.45 43.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 18' ' ' PHE . 39.6 mt -67.59 -24.3 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -58.0 -21.1 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.23 32.93 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.9 tt -104.84 135.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 159.54 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.6 -43.54 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.4 p -56.57 -52.84 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -41.26 -55.76 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 61' ' ' ARG . 17.8 mt -48.84 -45.56 40.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.4 mt -54.6 -50.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.71 -21.65 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.4 mt -85.16 18.68 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 75.01 25.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 57' ' ' ASP . 11.9 mt -109.09 29.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -75.88 131.88 75.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.21 8.17 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -48.07 -40.31 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.7 m-20 -80.81 -47.62 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.467 ' CB ' HD11 ' A' ' 50' ' ' LEU . 75.1 mtm-85 -51.3 -52.35 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.64 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -58.99 -29.76 67.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 50' ' ' LEU . 2.3 tt -78.76 -42.9 26.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 mt -75.06 -63.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -23.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.56 -55.46 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.03 -31.65 42.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -47.1 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -57.36 -39.47 76.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.566 HD13 ' CE1' ' A' ' 18' ' ' PHE . 11.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 18' ' ' PHE . 5.6 tp-100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 t -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.4 mp -38.08 -55.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -36.81 -63.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.3 -44.61 82.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 42' ' ' LEU . 2.7 t80 -52.93 -24.93 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 31' ' ' LEU . 96.0 mt -89.69 -38.99 13.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.51 -28.35 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.67 -41.86 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.409 ' HB ' ' CD2' ' A' ' 24' ' ' LEU . 12.0 pt -92.9 1.14 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 62.41 37.68 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD2' ' HB ' ' A' ' 22' ' ' ILE . 1.7 mm? -112.36 15.84 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.1 -14.29 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.63 -16.59 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -103.44 -3.5 25.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.2 m -42.06 -73.24 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -42.51 -48.53 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 15.0 m -55.07 -39.15 68.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -75.23 -48.1 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.21 -62.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -44.7 -41.95 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -65.57 -37.46 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.1 -28.83 1.68 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 94.6 m-85 -64.37 96.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -97.87 -39.87 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 p -134.23 163.73 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 71' ' ' LEU . 5.8 mt -43.4 -41.35 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 4.1 m-20 -41.02 -40.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.456 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -76.1 -39.67 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 18' ' ' PHE . 45.7 mt -57.92 -21.58 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 8.0 ptmt -65.42 -11.04 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -110.46 -5.56 15.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.7 tt -79.78 142.89 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -131.57 177.29 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -53.09 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -60.32 -51.96 67.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -43.54 -56.43 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 61' ' ' ARG . 19.7 mt -47.03 -46.48 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.97 -50.43 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.42 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.91 19.46 3.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 74.82 25.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 12.1 mt -109.71 29.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -42.26 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m-20 -76.0 132.0 74.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.52 6.44 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -47.68 -40.12 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.6 m-20 -81.31 -47.65 13.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' CB ' HD13 ' A' ' 50' ' ' LEU . 70.5 mtm-85 -52.66 -56.81 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.8 -53.25 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.49 -33.52 66.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.462 HD13 ' CD2' ' A' ' 50' ' ' LEU . 1.7 tt -73.41 -56.08 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.72 -59.73 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 t -45.9 -45.46 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.47 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.43 -49.38 77.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -48.93 -54.6 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -49.14 -41.53 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 39' ' ' LEU . 6.8 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.876 0.369 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 t -98.39 149.99 22.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.488 ' CD1' ' C ' ' A' ' 38' ' ' THR . 1.5 mp -58.09 -48.68 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.567 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 2.0 mp0 -43.46 -62.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.75 -41.0 84.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.511 ' CD1' HD12 ' A' ' 71' ' ' LEU . 2.3 t80 -55.14 -30.99 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 31' ' ' LEU . 94.0 mt -85.69 -43.42 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -47.62 -35.06 8.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -65.02 -39.65 93.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 pt -96.49 5.73 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 63.63 34.69 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -112.63 21.5 15.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -7.52 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -75.37 -16.42 60.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -100.6 -4.42 28.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.7 m -44.13 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -40.27 -49.33 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.436 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 13.4 m -56.38 -35.32 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 19' ' ' LEU . 10.2 mt -78.65 -51.23 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 28' ' ' THR . 31.7 mt -58.82 -56.92 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.55 -33.81 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -77.52 -27.88 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.83 -36.35 1.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -55.47 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.425 ' C ' HD13 ' A' ' 15' ' ' ILE . 18.8 mt-10 -89.03 -44.81 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.488 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 82.0 p -134.32 168.51 18.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 71' ' ' LEU . 1.4 mm? -45.44 -43.81 11.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 1.9 m-20 -40.53 -33.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.43 -44.02 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 35.1 mt -57.01 -22.46 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 9.3 ptmt -60.56 -10.46 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -113.79 -8.42 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 6.7 tt -74.47 147.1 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -131.49 178.35 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.54 -46.08 77.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -58.51 -52.24 66.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -41.99 -54.1 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.475 HD12 ' CB ' ' A' ' 61' ' ' ARG . 12.1 mt -49.89 -46.31 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.7 mt -54.61 -46.3 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.0 -20.14 62.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.447 ' C ' ' OD1' ' A' ' 54' ' ' ASN . 95.8 mt -88.77 20.5 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 53' ' ' LEU . 1.4 m120 73.27 27.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 14.7 mt -110.91 28.59 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -40.6 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.9 OUTLIER -74.75 131.76 78.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -40.82 4.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.74 2.294 . . . . 0.0 112.322 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -46.97 -39.73 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.5 m-20 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.475 ' CB ' HD12 ' A' ' 50' ' ' LEU . 66.1 mtm-85 -52.84 -57.17 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.23 -53.34 58.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -56.37 -36.16 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.1 tt -70.95 -50.03 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' SER . 4.6 mt -67.95 -68.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' LEU . 31.0 t -38.24 -38.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -53.15 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.53 67.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.34 -36.5 43.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -66.82 -42.74 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.511 HD12 ' CD1' ' A' ' 18' ' ' PHE . 4.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 6.3 tp-100 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.877 0.37 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.0 t -97.01 125.66 41.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' THR . 1.3 mp -34.03 -58.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 15' ' ' ILE . 10.1 mt-30 -34.52 -55.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.51 -47.66 46.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 71' ' ' LEU . 2.1 t80 -51.33 -25.14 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 31' ' ' LEU . 88.5 mt -85.51 -36.43 20.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.88 -33.12 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.425 ' CZ ' ' CB ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -72.72 -38.55 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 pt -93.77 7.87 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 53.66 35.72 21.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 ' CD2' ' OD1' ' A' ' 60' ' ' ASP . 56.2 mt -118.1 19.95 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -61.21 -11.76 10.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -65.93 -15.02 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -105.09 4.54 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' LEU . 85.0 m -47.92 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 p -39.62 -51.1 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 64.8 m -53.38 -37.18 62.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 19' ' ' LEU . 9.8 mt -77.98 -51.49 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -55.9 -61.9 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mp -46.72 -39.83 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -68.1 -30.3 69.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 -33.46 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -56.24 91.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' C ' HD12 ' A' ' 15' ' ' ILE . 25.2 mt-10 -90.83 -45.68 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.8 p -134.12 162.96 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 42' ' ' LEU . 33.3 mt -40.51 -43.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' LEU . 43.2 m-20 -36.86 -41.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.46 -40.59 57.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 39' ' ' LEU . 60.5 mt -61.65 -29.64 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -54.77 -17.47 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -118.7 31.81 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 tt -102.99 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -128.19 151.16 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -38.25 -40.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -58.91 -48.07 82.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -48.04 -53.15 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 HD13 ' CB ' ' A' ' 61' ' ' ARG . 14.7 mt -50.54 -44.69 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -54.13 -53.22 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.94 -23.34 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -83.43 17.1 2.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 75.0 25.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.458 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 10.1 mt -108.42 29.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.47 -24.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -75.21 132.68 76.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.76 7.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.39 -43.87 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 12.0 m-20 -77.38 -48.36 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' CB ' HD13 ' A' ' 50' ' ' LEU . 72.6 mtm-85 -49.2 -57.3 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.61 -53.08 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -56.53 -31.24 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.2 tt -78.09 -42.76 31.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.55 -61.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 m -46.39 -39.44 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.33 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.17 -32.59 55.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -57.35 -40.34 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 18' ' ' PHE . 9.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.1 tp-100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.8 t -102.08 130.86 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.442 ' CD1' ' C ' ' A' ' 38' ' ' THR . 1.5 mp -36.24 -54.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.554 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 1.6 mp0 -38.2 -65.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.18 -42.07 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' ' 42' ' ' LEU . 2.9 t80 -55.75 -25.16 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 31' ' ' LEU . 98.2 mt -90.43 -38.17 13.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -53.23 -34.22 56.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -70.0 -41.69 74.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 24' ' ' LEU . 5.6 pt -90.03 4.35 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 60.3 32.82 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.445 ' CD1' HD13 ' A' ' 22' ' ' ILE . 60.4 mt -116.83 25.54 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -15.37 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.54 -9.92 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -107.44 -1.73 21.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' LEU . 89.8 m -44.69 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -39.42 -49.44 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.427 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 55.4 m -55.93 -36.62 67.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.56 -48.07 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.16 -60.96 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mp -45.89 -42.41 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -65.32 -33.47 76.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.85 -30.17 2.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 93.9 m-85 -62.99 97.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' HD12 ' A' ' 15' ' ' ILE . 22.9 mt-10 -97.06 -43.16 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -134.16 167.18 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 6.3 mt -45.61 -39.82 8.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -41.49 -35.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.419 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 5.8 m-20 -81.85 -38.84 24.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' A' ' 18' ' ' PHE . 65.8 mt -61.21 -34.39 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -53.16 -15.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.37 29.0 8.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 tt -102.72 146.42 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -127.64 156.51 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -40.85 -42.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 m -59.47 -55.2 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -39.36 -54.77 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 61' ' ' ARG . 70.4 mt -50.82 -53.22 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.5 mt -45.13 -54.29 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.13 -21.74 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -85.76 20.11 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 74.95 25.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 mt -111.64 30.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.12 -22.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -75.8 136.53 70.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -43.96 2.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.758 2.305 . . . . 0.0 112.33 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -48.67 -42.18 33.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 31.0 m-20 -74.88 -47.61 29.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 76.4 mtm-85 -58.5 -63.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.19 -57.23 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -49.14 -30.46 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tt -78.54 -46.12 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.447 ' CD1' HD13 ' A' ' 50' ' ' LEU . 8.0 mp -58.43 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -41.99 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.86 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.67 -38.9 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.26 -50.64 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -52.95 -44.56 67.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.471 HD11 ' CE1' ' A' ' 18' ' ' PHE . 7.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -98.43 145.5 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -52.01 -48.56 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -39.99 -69.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.35 -42.1 93.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.506 ' CE2' HD12 ' A' ' 42' ' ' LEU . 1.9 t80 -52.3 -24.03 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.501 HD21 ' CE2' ' A' ' 18' ' ' PHE . 92.9 mt -92.65 -40.1 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.72 -29.06 17.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -72.12 -40.17 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.468 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 11.5 pt -95.93 3.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 62.79 40.56 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 27' ' ' TYR . 3.8 mm? -118.12 13.65 13.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -14.18 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.45 -9.87 55.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.552 ' CD2' HD12 ' A' ' 24' ' ' LEU . 97.6 m-85 -107.43 -5.84 17.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' LEU . 89.5 m -39.63 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 p -39.41 -49.31 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 23.1 m -56.33 -36.77 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.46 -51.07 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 35' ' ' GLY . 45.7 mt -57.77 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -46.2 -35.15 4.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -74.18 -28.77 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 138.22 -32.98 2.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 97.6 m-85 -58.51 101.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.426 ' C ' HD13 ' A' ' 15' ' ' ILE . 14.0 mt-10 -100.17 -45.29 5.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -134.3 163.75 28.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' CD1' HD11 ' A' ' 71' ' ' LEU . 1.4 mm? -41.21 -39.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.27 -41.87 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 10.5 m-20 -73.18 -42.98 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' CE2' ' A' ' 18' ' ' PHE . 66.8 mt -58.57 -18.89 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -58.95 -19.34 42.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.97 29.17 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 tt -103.31 133.5 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -119.0 169.64 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.18 -44.47 43.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 m -57.32 -51.24 70.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -42.82 -54.12 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' CD1' ' A' ' 64' ' ' LEU . 25.6 mt -52.1 -47.72 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.404 HG12 ' NH1' ' A' ' 61' ' ' ARG . 56.2 mt -49.59 -55.59 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.07 -21.15 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.7 mt -84.93 19.85 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 71.78 24.93 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 57' ' ' ASP . 9.8 mt -107.81 28.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.59 -26.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.1 m-20 -73.97 130.64 82.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.615 0.722 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.93 5.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -46.63 -35.95 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 18.4 m-20 -86.42 -46.43 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 70.7 mtm-85 -54.2 -55.32 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.0 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -56.59 -38.34 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 2.4 tt -69.32 -37.45 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.18 -63.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.6 t -47.03 -20.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.7 -54.01 4.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.3 pt-20 -64.57 -47.43 78.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.1 t -58.84 -43.76 90.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 39' ' ' LEU . 3.1 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.7 tp-100 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 t -85.64 128.11 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CD1' ' C ' ' A' ' 38' ' ' THR . 1.4 mp -37.94 -59.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 15' ' ' ILE . 8.1 mt-30 -34.11 -62.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 71' ' ' LEU . 2.5 t80 -53.69 -28.37 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 31' ' ' LEU . 65.9 mt -84.78 -45.63 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 6.8 ptm180 -66.87 -46.22 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 15.3 pt -88.09 0.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 63.74 36.92 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -113.87 20.7 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -61.01 -13.47 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.4 -17.0 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -102.46 -7.07 22.24 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -37.79 -73.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -42.79 -48.65 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 63.9 m -55.64 -38.71 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.1 mt -75.37 -52.87 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.91 -57.43 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 mt -47.77 -48.38 30.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.0 m-80 -60.49 -34.11 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.05 -30.34 1.91 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.434 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 97.6 m-85 -59.59 91.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.407 ' C ' HD11 ' A' ' 15' ' ' ILE . 16.0 mt-10 -90.69 -44.15 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 80.8 p -134.11 168.94 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 9.0 mt -45.95 -42.23 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -42.47 -33.56 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.434 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 4.9 m-20 -79.22 -37.74 37.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 39' ' ' LEU . 88.6 mt -67.95 -30.55 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -50.53 -23.53 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.04 32.68 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 tt -101.76 145.46 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' GLU . 15.5 mmtp -126.25 150.28 48.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' LYS . 34.3 tt0 -37.84 -37.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -63.68 -49.93 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -44.32 -52.91 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 64' ' ' LEU . 34.8 mt -50.46 -49.27 55.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.05 -53.43 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -63.05 -21.88 66.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.7 mt -84.02 17.88 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m120 75.0 25.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 57' ' ' ASP . 14.9 mt -108.8 30.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.74 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.7 m-20 -75.63 130.19 79.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.14 2.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.1 -30.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 20.4 m-20 -90.99 -43.53 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' CB ' HD12 ' A' ' 50' ' ' LEU . 72.8 mtm-85 -56.67 -50.88 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 31.9 mtt180 -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 2.3 tt -70.27 -45.71 65.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.38 -59.92 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -52.92 -18.61 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 63' ' ' ARG . . . -87.84 -56.55 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.83 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' SER . 15.0 pt-20 -65.57 -48.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.55 -38.88 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 18' ' ' PHE . 15.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 14' ' ' THR . 1.9 tp-100 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.462 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 10.1 t -101.86 124.57 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 1.2 mp -35.65 -48.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.69 -46.82 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -80.69 -41.52 23.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.564 ' CE1' HD13 ' A' ' 71' ' ' LEU . 3.1 t80 -58.31 -23.66 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 31' ' ' LEU . 63.9 mt -87.78 -45.83 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -48.08 -36.8 13.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -62.88 -39.45 94.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.441 ' CG1' HD23 ' A' ' 24' ' ' LEU . 13.2 pt -95.9 2.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 63.83 36.82 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' CG1' ' A' ' 22' ' ' ILE . 2.0 mm? -114.01 17.56 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.447 ' NE2' ' H ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -57.27 -12.41 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.32 -14.99 63.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -104.53 -6.46 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -40.47 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -42.39 -50.13 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 50.2 m -54.26 -38.92 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.1 mt -74.81 -51.1 14.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 mt -57.91 -58.71 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -46.95 -44.17 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -64.6 -36.14 83.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.57 -34.31 1.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.408 ' OH ' ' CD2' ' A' ' 49' ' ' HIS . 98.1 m-85 -56.13 96.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -96.05 -46.83 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.412 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 72.7 p -129.58 167.38 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 42' ' ' LEU . 8.3 mt -43.5 -43.92 5.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -41.17 -42.28 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 13.8 m-20 -69.51 -34.78 74.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' LEU . 57.6 mt -70.14 -22.22 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -59.05 -21.26 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.02 28.75 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.1 tt -99.23 144.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -128.52 154.44 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -39.75 -40.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -61.54 -51.51 68.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.408 ' CD2' ' OH ' ' A' ' 36' ' ' TYR . 18.4 m80 -42.81 -54.42 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.495 ' CD2' ' CD1' ' A' ' 64' ' ' LEU . 39.2 mt -49.35 -49.85 42.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.5 mt -51.85 -52.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.79 -21.06 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.54 19.69 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 t30 73.6 25.02 2.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 57' ' ' ASP . 7.7 mt -109.47 29.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -38.56 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -74.0 129.68 84.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.15 3.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -44.51 -33.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.445 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 36.3 m-20 -88.5 -45.19 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' CB ' HD13 ' A' ' 50' ' ' LEU . 74.7 mtm-85 -53.61 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.07 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 39.1 mtt-85 -58.16 -35.96 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.495 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 2.4 tt -71.59 -39.83 70.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mt -77.25 -63.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.5 m -50.1 -18.69 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 63' ' ' ARG . . . -86.4 -55.05 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.4 -30.58 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 70' ' ' SER . 16.5 pt-20 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -57.36 -32.06 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 18' ' ' PHE . 12.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 14' ' ' THR . 3.4 tp-100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.896 0.379 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.466 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 4.4 t -97.56 135.94 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.454 ' CD1' ' C ' ' A' ' 38' ' ' THR . 1.3 mp -41.47 -46.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.422 ' CD ' HG22 ' A' ' 28' ' ' THR . 30.7 mm-40 -44.55 -69.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -61.6 -35.57 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 42' ' ' LEU . 2.1 t80 -61.13 -30.74 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 31' ' ' LEU . 75.5 mt -84.86 -40.13 17.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -48.92 -42.95 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -57.8 -40.45 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 pt -95.41 8.73 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 54.53 41.74 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.1 mt -117.42 20.04 13.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.45 -12.84 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.546 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.1 pt-20 -69.14 -21.18 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 94.8 m-85 -97.93 -5.34 34.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.422 HG22 ' CD ' ' A' ' 16' ' ' GLN . 26.8 m -42.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.9 p -41.65 -47.55 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.457 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 29.9 m -57.54 -39.45 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.418 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.7 mt -73.32 -47.7 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.9 mt -62.94 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.88 -35.58 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -74.12 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.49 -35.31 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -55.58 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.936 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.95 -43.52 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 76.2 p -131.21 167.18 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 4.5 mt -48.44 -38.98 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.01 -28.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.23 -40.57 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 18' ' ' PHE . 62.3 mt -62.87 -27.38 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -55.87 -17.32 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -117.03 29.7 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 tt -104.05 144.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.65 158.67 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -42.03 -43.46 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.1 p -56.78 -54.81 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -40.6 -57.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 61' ' ' ARG . 15.8 mt -49.53 -52.98 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.404 HG12 ' NH1' ' A' ' 61' ' ' ARG . 74.0 mt -46.73 -53.47 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.88 -22.63 67.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.9 mt -84.48 19.01 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 74.92 24.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.455 HG12 ' CE1' ' A' ' 27' ' ' TYR . 4.8 mt -110.36 31.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.184 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.69 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.1 t70 -73.98 133.24 79.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -48.06 -34.93 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -83.35 -45.98 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 71.2 mtm-85 -59.51 -58.99 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.9 -55.65 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -53.69 -38.34 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.87 -49.45 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.88 -60.37 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -52.75 -16.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.63 -52.99 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.37 -35.74 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.528 ' CG ' ' N ' ' A' ' 70' ' ' SER . 4.7 pt-20 -60.37 -50.22 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.4 t -55.89 -40.69 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 14' ' ' THR . 2.8 tp-100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.493 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 10.1 t -98.46 132.56 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.4 mp -37.21 -57.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.522 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 2.5 mp0 -34.92 -70.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -60.58 -42.01 95.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 42' ' ' LEU . 2.2 t80 -54.43 -28.77 46.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 31' ' ' LEU . 96.7 mt -86.01 -37.75 18.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.89 -33.04 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -68.74 -39.93 80.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.6 pt -94.42 7.88 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 54.69 35.36 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.483 ' CD2' ' OD1' ' A' ' 60' ' ' ASP . 44.5 mt -115.06 16.89 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.13 -12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.48 -10.07 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -108.85 0.63 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' LEU . 84.7 m -45.62 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -39.88 -49.46 2.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 6.5 m -55.83 -38.69 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.4 mt -74.9 -48.07 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.7 mt -62.13 -60.61 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -45.65 -37.23 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -71.54 -38.01 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 -32.15 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.441 ' OH ' ' CD2' ' A' ' 49' ' ' HIS . 93.8 m-85 -60.48 97.72 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.367 . . . . 0.0 110.927 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' HD13 ' A' ' 15' ' ' ILE . 43.6 mt-10 -96.97 -44.86 6.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -133.25 168.07 19.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 5.6 mt -47.12 -36.34 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 14.7 t70 -46.02 -33.5 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.62 -36.24 22.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 18' ' ' PHE . 41.4 mt -61.55 -34.24 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -55.06 -14.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -115.26 25.83 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.1 tt -103.51 144.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -127.3 156.24 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -39.71 -40.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.3 p -60.72 -51.99 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.441 ' CD2' ' OH ' ' A' ' 36' ' ' TYR . 51.8 m80 -43.03 -55.2 3.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 64' ' ' LEU . 26.9 mt -48.45 -48.58 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.421 HG12 ' NH1' ' A' ' 61' ' ' ARG . 71.2 mt -52.24 -52.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.3 -20.5 64.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -89.54 23.85 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m120 68.71 24.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 57' ' ' ASP . 10.1 mt -106.29 27.35 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.66 -24.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -73.9 131.59 81.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.841 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.53 10.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.6 -42.92 35.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 32.5 m-20 -78.65 -47.96 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' CG ' HD11 ' A' ' 50' ' ' LEU . 70.8 mtm-85 -54.4 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.39 -58.24 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -53.89 -49.91 67.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' CD1' HD22 ' A' ' 50' ' ' LEU . 1.5 tt -56.04 -35.12 66.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 mt -74.68 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.6 t -59.02 -18.09 31.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.68 -57.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.67 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 70' ' ' SER . 11.9 pt-20 -65.04 -49.27 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.51 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.73 -42.74 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.0 tp-100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.869 0.366 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 t -99.48 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.17 -44.36 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -68.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -66.32 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' A' ' 42' ' ' LEU . 1.9 t80 -54.26 -26.33 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 31' ' ' LEU . 86.5 mt -90.41 -40.39 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 10.2 mt-10 -51.38 -23.16 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 1.7 ptp180 -79.41 -38.26 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.1 pt -94.64 8.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 55.4 33.45 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 mt -116.3 25.16 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -67.19 -7.77 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.5 pt-20 -71.9 -12.32 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.488 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.5 m-85 -106.3 -8.06 17.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' LEU . 89.4 m -38.18 -71.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 p -39.95 -50.04 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.7 m -55.5 -36.43 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD1' HD12 ' A' ' 19' ' ' LEU . 11.6 mt -77.86 -52.2 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.2 -57.97 10.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mp -48.35 -41.96 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -28.65 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 -38.53 1.64 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -57.7 100.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -110.96 -31.64 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.9 p -132.16 156.48 46.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' LEU . 9.3 mt -43.7 -45.81 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.26 -38.66 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.25 -34.45 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 18' ' ' PHE . 27.3 mt -65.52 -21.32 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -67.26 -11.95 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.37 -2.46 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 6.5 tt -84.81 148.24 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 172.15 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -50.41 -49.89 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -49.33 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.406 ' CB ' HG13 ' A' ' 45' ' ' ILE . 41.5 m80 -45.37 -55.98 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 61' ' ' ARG . 23.8 mt -50.58 -51.11 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.417 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 62.8 mt -47.94 -50.06 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.39 -20.9 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.5 mt -87.56 21.5 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.65 26.86 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 8.2 mt -113.09 30.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.12 -22.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' ILE . 4.6 m-20 -75.44 131.73 77.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.85 15.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -52.27 -46.82 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.6 m-20 -74.84 -48.62 24.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 60.1 mtm-85 -52.7 -59.7 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.21 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -56.38 -26.72 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tt -83.45 -34.24 25.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.13 -55.88 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.3 m -59.96 -17.69 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.82 -53.55 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.19 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.1 pt-20 -66.07 -48.96 69.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.498 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.5 t -55.89 -39.7 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.8 t -90.86 146.52 23.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.423 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.3 mp -57.29 -51.22 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -41.65 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.3 -43.12 92.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.507 ' CD1' HD13 ' A' ' 71' ' ' LEU . 1.4 t80 -51.36 -36.28 42.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 31' ' ' LEU . 91.1 mt -79.29 -35.76 40.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.36 -35.92 20.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 7.6 ptm180 -63.4 -48.09 79.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.502 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 9.9 pt -91.07 1.83 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 21.1 m-70 63.66 38.09 9.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 27' ' ' TYR . 3.8 mm? -107.7 10.16 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -53.94 -18.54 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.516 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 17.5 pt-20 -65.95 -8.51 23.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 24' ' ' LEU . 98.0 m-85 -110.43 -1.33 17.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.443 HG21 ' CD1' ' A' ' 32' ' ' LEU . 89.5 m -42.59 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 m -41.52 -49.39 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.48 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 29.6 m -54.59 -36.39 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.0 mt -78.67 -49.63 12.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 28' ' ' THR . 51.9 mt -58.54 -59.01 6.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mp -47.11 -37.65 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -71.74 -30.36 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.67 -28.53 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -62.79 94.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' C ' HD13 ' A' ' 15' ' ' ILE . 21.1 mt-10 -96.77 -39.59 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -134.19 164.26 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -47.05 -44.31 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.96 -33.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.48 -39.31 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 39' ' ' LEU . 26.0 mt -61.3 -21.02 63.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -60.7 -9.68 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.18 -18.61 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.414 HG13 ' CB ' ' A' ' 49' ' ' HIS . 4.0 tt -63.18 139.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -128.17 178.49 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -51.29 -46.82 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 p -59.7 -55.24 36.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . 0.414 ' CB ' HG13 ' A' ' 45' ' ' ILE . 67.3 m80 -41.04 -56.49 2.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 HD12 ' CB ' ' A' ' 61' ' ' ARG . 29.2 mt -48.54 -48.75 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.5 mt -52.58 -50.06 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -66.71 -20.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -87.77 21.66 2.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 74.62 26.19 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 9.9 mt -112.9 30.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.57 -22.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -76.85 133.07 70.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -32.12 19.36 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -53.33 -49.51 66.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 29.8 m-20 -72.83 -49.18 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.48 ' CB ' HD12 ' A' ' 50' ' ' LEU . 67.3 mtm-85 -48.94 -59.38 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.89 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -53.35 -39.17 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 50' ' ' LEU . 1.8 tt -68.34 -56.27 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 50' ' ' LEU . 4.1 mt -59.49 -68.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -39.29 -43.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.18 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.41 65.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -51.56 -34.53 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -68.34 -48.24 65.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 18' ' ' PHE . 13.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.4 tp-100 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' ILE . 10.5 t -105.72 126.57 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.3 mp -34.51 -60.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' ILE . 15.0 mt-30 -33.74 -63.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.51 -46.39 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CE1' HD13 ' A' ' 71' ' ' LEU . 3.1 t80 -50.53 -24.83 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 31' ' ' LEU . 86.4 mt -89.2 -41.94 11.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -48.43 -35.73 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 11.3 ptp180 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.446 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 28.6 pt -90.99 -0.26 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' LEU . 2.9 m-70 64.77 46.73 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 27' ' ' TYR . 4.3 mm? -121.17 13.1 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -13.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 8.0 pt-20 -70.28 -9.1 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.57 ' CD2' HD13 ' A' ' 24' ' ' LEU . 97.7 m-85 -109.96 -9.25 14.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.41 HG21 ' CD1' ' A' ' 32' ' ' LEU . 20.9 m -36.33 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -42.42 -50.98 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.1 m -54.0 -38.59 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.5 mt -74.95 -54.59 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' A' ' 28' ' ' THR . 39.1 mt -55.54 -58.73 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.17 -41.09 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.31 -31.84 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.94 -37.42 1.59 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -53.65 91.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' HD12 ' A' ' 15' ' ' ILE . 37.8 mt-10 -93.62 -43.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -132.21 167.54 19.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 6.4 mt -47.11 -38.13 10.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -45.19 -35.28 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -80.37 -37.04 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.9 mt -65.69 -32.91 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -52.92 -17.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.53 30.16 7.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.2 tt -104.1 147.47 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -127.74 152.25 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -39.46 -39.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -61.84 -51.94 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -42.32 -54.18 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 61' ' ' ARG . 38.4 mt -49.28 -49.99 41.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.4 mt -49.98 -52.3 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -22.24 66.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -83.66 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 75.04 25.43 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 57' ' ' ASP . 13.8 mt -108.3 29.69 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -37.69 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.8 m-20 -74.17 129.2 84.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -36.71 10.12 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.284 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -47.32 -39.81 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.0 m-20 -82.59 -46.87 12.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.465 ' CB ' HD13 ' A' ' 50' ' ' LEU . 72.3 mtm-85 -51.23 -55.48 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.06 49.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -55.48 -38.91 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.431 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 2.3 tt -68.21 -48.07 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.52 -66.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -39.9 -39.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.99 -56.52 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.81 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.63 -48.23 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -58.71 -48.3 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' A' ' 18' ' ' PHE . 11.4 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.5 tp-100 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 15' ' ' ILE . 11.5 t -98.92 130.2 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.454 HG21 ' CD1' ' A' ' 19' ' ' LEU . 1.4 mp -36.65 -58.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 15' ' ' ILE . 8.7 mt-30 -34.47 -63.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -66.18 -46.4 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 71' ' ' LEU . 3.4 t80 -51.18 -25.93 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.454 ' CD1' HG21 ' A' ' 15' ' ' ILE . 79.6 mt -88.51 -38.64 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -51.87 -29.8 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -75.41 -34.92 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.444 ' CG1' ' HA ' ' A' ' 19' ' ' LEU . 6.7 pt -95.33 5.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 55.66 39.28 30.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.5 mt -124.99 19.82 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -14.14 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -16.43 63.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.598 ' CE1' ' OD2' ' A' ' 60' ' ' ASP . 78.6 m-85 -99.19 0.15 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 90.1 m -47.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -46.26 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.453 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 30.7 m -58.42 -38.91 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 mt -75.87 -48.08 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.65 -58.62 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -47.48 -38.64 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.3 m-80 -71.5 -31.18 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.99 -34.99 1.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -57.22 95.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' HD13 ' A' ' 15' ' ' ILE . 32.6 mt-10 -95.89 -45.88 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -131.1 168.72 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 5.4 mt -48.03 -43.05 29.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.38 -33.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -39.78 23.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 39' ' ' LEU . 72.5 mt -61.56 -33.1 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -54.3 -16.2 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.16 28.64 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 tt -103.37 145.8 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.28 157.04 39.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -41.56 -42.58 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.9 m -59.0 -54.86 42.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -40.61 -52.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 61' ' ' ARG . 54.0 mt -52.78 -52.8 55.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.419 HG12 ' NH1' ' A' ' 61' ' ' ARG . 62.4 mt -46.86 -52.21 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.47 -22.96 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.421 ' CD2' ' CG ' ' A' ' 34' ' ' ASN . 85.0 mt -83.35 17.22 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 74.99 25.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 57' ' ' ASP . 6.9 mt -105.25 29.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.56 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.2 m-20 -77.68 129.76 75.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.24 27.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.68 -42.13 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.598 ' OD2' ' CE1' ' A' ' 27' ' ' TYR . 40.2 t0 -81.76 -46.72 13.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.472 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 74.5 mtm-85 -53.06 -49.47 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.93 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -57.55 -29.45 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.468 HD12 ' CD2' ' A' ' 50' ' ' LEU . 2.1 tt -78.55 -46.98 18.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.24 -57.37 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -51.54 -47.55 63.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.79 -54.87 39.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.36 -38.63 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.89 -48.8 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -56.68 -48.13 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 18' ' ' PHE . 9.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.847 0.356 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' ILE . 14.9 t -94.02 130.68 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.4 mp -35.95 -56.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' ILE . 1.6 mp0 -35.53 -71.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.27 -41.0 87.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CE2' HD13 ' A' ' 42' ' ' LEU . 2.3 t80 -56.36 -26.27 52.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 31' ' ' LEU . 89.6 mt -90.8 -39.47 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -51.19 -29.32 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -72.99 -38.3 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.424 HD12 ' CD1' ' A' ' 24' ' ' LEU . 6.5 pt -96.28 7.15 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 57.47 38.76 28.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD1' HD12 ' A' ' 22' ' ' ILE . 14.2 mt -117.22 19.32 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -60.24 -18.86 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 27' ' ' TYR . 17.4 pt-20 -62.66 -8.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 26' ' ' GLU . 96.1 m-85 -110.02 -9.27 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' TYR . 25.8 m -37.41 -67.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -46.56 -50.25 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.469 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 61.2 m -52.88 -38.11 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 19' ' ' LEU . 9.5 mt -75.75 -51.11 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 35' ' ' GLY . 60.6 mt -58.0 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 mp -46.59 -39.34 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -70.19 -28.13 65.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 136.45 -31.58 2.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.424 ' CZ ' HD12 ' A' ' 45' ' ' ILE . 85.2 m-85 -61.85 97.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -99.44 -42.03 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 36.5 p -129.49 165.28 21.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 42' ' ' LEU . 8.8 mt -46.67 -44.63 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -40.85 -33.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.6 -32.87 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.515 HD13 ' CE2' ' A' ' 18' ' ' PHE . 29.8 mt -67.11 -30.0 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -58.13 -12.26 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -107.06 -11.59 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.424 HD12 ' CZ ' ' A' ' 36' ' ' TYR . 4.0 tt -73.46 143.0 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -128.1 -179.44 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -55.69 -46.99 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.6 p -58.46 -55.8 30.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -39.97 -57.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 61' ' ' ARG . 32.9 mt -48.09 -50.08 29.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.5 mt -51.35 -51.09 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -65.61 -21.13 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.444 ' CD2' ' OD1' ' A' ' 34' ' ' ASN . 94.2 mt -86.03 19.76 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 75.0 26.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 8.1 mt -111.54 30.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.47 -24.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -74.74 129.55 83.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -30.48 22.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.13 -49.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 5.3 m-20 -74.11 -48.58 28.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.474 ' CB ' HD12 ' A' ' 50' ' ' LEU . 62.5 mtm-85 -47.52 -55.6 8.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.95 -52.41 65.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 50' ' ' LEU . 2.0 tt -76.28 -49.78 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.36 -65.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -43.66 -40.61 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.21 -57.91 8.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.6 -53.99 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -54.64 -26.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -76.98 -19.35 57.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 18' ' ' PHE . 5.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.6 tp-100 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -90.83 144.61 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -50.36 -50.35 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -41.0 -70.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -61.49 -38.84 88.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CE2' HD13 ' A' ' 42' ' ' LEU . 2.5 t80 -57.41 -28.56 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 86.5 mt -87.55 -39.82 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.92 -37.41 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -68.71 -41.33 79.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.431 ' CG1' ' HA ' ' A' ' 19' ' ' LEU . 16.4 pt -89.57 4.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 57.74 44.22 20.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 22' ' ' ILE . 26.7 mt -127.69 18.54 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -59.28 -10.91 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.9 -16.38 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CE2' HG12 ' A' ' 55' ' ' ILE . 85.2 m-85 -99.6 -4.56 30.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.2 m -42.55 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.163 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.5 p -40.14 -47.79 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.432 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 54.0 m -57.02 -38.57 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' THR . 9.9 mt -75.7 -49.06 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.36 -59.9 4.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mp -45.96 -40.82 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -68.28 -35.77 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 -34.66 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -57.61 106.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' HD12 ' A' ' 15' ' ' ILE . 28.2 mt-10 -105.18 -42.09 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.4 p -134.23 165.65 24.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 7.7 mt -43.92 -44.57 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -40.15 -36.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.73 -39.91 35.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.567 HD13 ' CE2' ' A' ' 18' ' ' PHE . 77.8 mt -60.16 -34.54 73.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -51.75 -16.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -102.81 -18.94 14.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.802 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.7 tt -63.9 141.05 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.97 172.33 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -48.53 -43.5 35.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.5 p -63.09 -55.59 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -40.17 -55.51 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 61' ' ' ARG . 41.2 mt -49.23 -51.11 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.71 -55.09 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -59.44 -21.26 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.15 26.09 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 67.62 25.05 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.483 HG12 ' CE2' ' A' ' 27' ' ' TYR . 7.0 mt -108.59 27.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.46 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 14.6 m-20 -74.04 131.98 80.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.7 8.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.11 -41.21 48.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.462 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.2 m-20 -80.9 -47.46 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.471 ' CB ' HD13 ' A' ' 50' ' ' LEU . 64.1 mtm-85 -52.18 -56.88 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.94 50.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -56.89 -30.45 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 tt -79.18 -38.08 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.1 -64.08 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -45.75 -35.71 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.47 -58.12 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.39 -36.62 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.7 -46.34 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 t -62.11 -45.9 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.441 HD11 ' CE1' ' A' ' 18' ' ' PHE . 8.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 8.7 tp-100 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.942 0.401 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -100.88 148.72 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.407 HG22 ' CD1' ' A' ' 19' ' ' LEU . 1.5 mp -63.72 -38.23 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.567 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 1.1 mp0 -53.33 -56.15 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -73.31 -34.29 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CE1' HD11 ' A' ' 71' ' ' LEU . 3.0 t80 -63.49 -29.09 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD12 ' CD1' ' A' ' 31' ' ' LEU . 91.5 mt -86.78 -43.56 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.91 -36.79 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 9.4 ptp180 -67.82 -43.48 79.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 6.5 pt -88.1 2.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 59.77 42.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.8 mt -125.75 23.09 7.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -14.2 32.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.513 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.4 pt-20 -67.42 -10.69 53.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.513 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.4 m-85 -107.5 -1.51 21.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.419 HG21 ' CD1' ' A' ' 32' ' ' LEU . 89.9 m -45.44 -70.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 p -42.83 -50.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 24.6 m -53.42 -32.88 51.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.424 ' CD1' HD12 ' A' ' 19' ' ' LEU . 9.9 mt -82.41 -49.27 10.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' A' ' 28' ' ' THR . 30.2 mt -60.75 -60.6 3.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.07 -34.64 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -74.74 -33.22 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.52 -20.61 2.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . 0.406 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 99.1 m-85 -71.96 95.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -94.73 -43.95 8.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' LEU . 73.1 p -134.43 157.06 47.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 13' ' ' GLN . 10.8 mp -36.46 -41.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 10.1 t70 -38.11 -47.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.25 -36.27 63.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 28.8 mt -57.9 -29.37 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 7.8 ptmt -59.41 -11.05 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -108.36 -11.46 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 7.7 tt -75.15 148.5 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -131.43 -177.35 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -61.35 -49.39 77.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.9 p -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -51.21 -56.21 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 64' ' ' LEU . 29.6 mt -50.35 -48.47 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.406 HG12 ' NH1' ' A' ' 61' ' ' ARG . 77.5 mt -53.48 -47.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.0 -23.32 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' CD2' ' OD1' ' A' ' 34' ' ' ASN . 95.5 mt -83.82 17.6 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 t30 74.97 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 57' ' ' ASP . 14.1 mt -105.69 29.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.66 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -73.89 127.62 87.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -36.41 10.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -47.69 -38.68 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 6.5 m-20 -82.72 -47.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.464 ' CB ' HD11 ' A' ' 50' ' ' LEU . 75.7 mtm-85 -52.75 -55.11 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.15 61.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.051 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -56.56 -28.65 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 50' ' ' LEU . 2.1 tt -80.29 -46.91 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -68.29 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -45.56 -41.98 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.21 38.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.73 -46.98 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -48.35 -52.62 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -55.1 -44.75 75.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.525 HD11 ' CE1' ' A' ' 18' ' ' PHE . 7.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -88.59 139.23 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.445 HG21 ' CD1' ' A' ' 19' ' ' LEU . 1.5 mp -52.29 -55.28 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' ILE . 23.4 mp0 -35.84 -61.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -67.81 -49.68 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.57 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.4 t80 -47.2 -28.55 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 93.8 mt -86.32 -37.87 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 36.7 mm-40 -54.34 -32.05 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -74.02 -33.43 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 19' ' ' LEU . 6.9 pt -96.82 7.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 52.5 39.89 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.2 mt -123.07 18.11 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' NE2' ' CD ' ' A' ' 20' ' ' GLU . 12.4 pt20 -57.63 -13.13 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.68 -11.23 24.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.67 -1.87 16.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' LEU . 87.9 m -45.07 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.8 p -42.98 -50.66 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 m -54.58 -31.44 56.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 19' ' ' LEU . 11.5 mt -82.69 -51.24 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 mt -59.22 -58.16 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -47.31 -32.62 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -77.88 -28.36 49.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.64 -26.89 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -61.46 89.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.416 ' C ' HD11 ' A' ' 15' ' ' ILE . 35.2 mt-10 -91.8 -41.53 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -134.07 161.17 35.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 71' ' ' LEU . 1.6 mm? -46.95 -39.87 13.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 5.8 m-20 -39.45 -33.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.84 -40.05 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 39' ' ' LEU . 78.9 mt -57.22 -31.18 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt -50.23 -18.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -116.31 32.4 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 tt -107.47 134.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -114.49 157.66 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.2 -44.91 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.9 p -56.02 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -38.36 -52.73 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 55' ' ' ILE . 42.4 mt -53.41 -50.17 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.415 HG12 ' NH1' ' A' ' 61' ' ' ARG . 72.8 mt -50.47 -53.38 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.73 -23.57 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.8 mt -83.86 17.9 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 74.73 25.05 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 57' ' ' ASP . 10.4 mt -107.02 29.45 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.83 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.6 m-20 -73.91 129.63 84.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.45 6.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.49 -38.85 14.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.475 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.8 m-20 -82.24 -47.14 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 75.2 mtm-85 -51.52 -54.0 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -52.0 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -57.25 -28.57 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 50' ' ' LEU . 2.2 tt -80.83 -46.44 15.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.42 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -45.92 -44.88 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.2 -54.87 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.57 -38.31 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.32 -39.06 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 18' ' ' PHE . 17.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -40.07 144.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -44.61 -49.17 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 139.99 15.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -69.55 154.4 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -117.88 -53.11 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.11 -122.33 0.87 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.61 165.27 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -131.93 152.61 50.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 9.5 tt0 -114.57 101.91 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 43.53 28.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 31.2 m170 -89.55 122.33 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.468 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 -92.7 136.58 33.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.459 ' CG2' ' HG3' ' A' ' 17' ' ' GLU . 14.9 t -94.35 154.27 17.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.403 HD12 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -62.52 -41.41 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -53.64 -42.88 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.459 ' HG3' ' CG2' ' A' ' 14' ' ' THR . 48.4 mt-10 -84.24 -34.04 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.569 ' CE1' HD11 ' A' ' 71' ' ' LEU . 3.6 t80 -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 31' ' ' LEU . 93.8 mt -87.57 -39.61 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 39.6 mm-40 -53.58 -37.06 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.403 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -65.48 -37.3 86.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.426 HD12 ' CD1' ' A' ' 24' ' ' LEU . 6.9 pt -98.04 8.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 53.65 40.36 31.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.426 ' CD1' HD12 ' A' ' 22' ' ' ILE . 33.5 mt -120.48 17.59 12.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.524 ' NE2' ' CD ' ' A' ' 20' ' ' GLU . 17.1 pt20 -58.1 -13.5 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.426 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 10.2 pt-20 -65.41 -14.62 61.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 88.4 m-85 -104.29 0.61 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' LEU . 88.1 m -46.06 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.6 p -39.54 -51.14 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.427 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 18.4 m -54.21 -38.93 66.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 19' ' ' LEU . 9.7 mt -75.75 -54.67 6.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.5 mt -54.15 -57.95 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.9 mp -48.88 -44.84 40.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.4 m-80 -63.49 -26.24 68.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.55 -27.51 3.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 98.9 m-85 -63.68 92.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.403 ' C ' HD12 ' A' ' 15' ' ' ILE . 17.8 mt-10 -93.59 -42.4 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -134.16 162.68 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 6.7 mt -41.89 -40.79 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -40.85 -42.53 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 5.2 m-20 -75.46 -36.32 60.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.474 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 22.4 mt -62.45 -29.17 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.8 ptmt -59.0 -11.86 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -108.79 -13.23 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.474 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -69.4 147.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' NZ ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -131.22 -179.5 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -57.58 -48.08 80.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -57.98 -50.08 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -44.4 -56.16 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.469 HD13 ' CB ' ' A' ' 61' ' ' ARG . 28.2 mt -48.37 -48.6 36.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.422 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 61.6 mt -53.38 -46.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.24 -21.4 63.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.3 mt -87.37 21.12 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 t30 74.69 25.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 9.3 mt -110.82 30.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.416 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.4 -22.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.2 m-20 -75.13 133.18 75.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -38.99 6.98 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.91 -44.94 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.463 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.2 m-20 -75.94 -48.82 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.469 ' CB ' HD13 ' A' ' 50' ' ' LEU . 64.2 mtm-85 -50.25 -58.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.81 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -57.04 -28.52 62.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.46 ' CD1' HD23 ' A' ' 50' ' ' LEU . 2.2 tt -79.93 -46.09 17.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.7 mt -70.6 -60.5 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.5 t -47.03 -40.16 14.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.73 61.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.08 -42.18 85.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.08 -45.95 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -60.09 -42.99 95.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.569 HD11 ' CE1' ' A' ' 18' ' ' PHE . 6.8 mt -66.37 -57.47 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.42 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 45.1 mt -68.29 -70.9 0.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -72.52 82.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.46 85.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 87.6 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -111.35 116.13 30.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 t -52.64 -45.73 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m 56.82 42.18 26.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -41.68 125.65 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.32 82.94 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -71.19 149.62 46.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -76.49 166.18 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.33 41.68 2.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -138.0 152.76 49.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -91.53 149.1 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.54 161.74 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -50.77 175.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -140.44 146.98 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.0 tp-100 -107.1 140.4 39.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 t -99.09 149.63 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.425 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -53.58 -49.68 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.548 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 2.0 mp0 -40.68 -68.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -64.42 -40.97 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.531 ' CE2' HD13 ' A' ' 42' ' ' LEU . 2.7 t80 -55.18 -24.85 28.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 HD13 ' CD1' ' A' ' 31' ' ' LEU . 90.0 mt -92.68 -39.29 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.87 -29.26 11.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -73.81 -34.83 64.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.3 pt -98.92 12.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 49.55 39.8 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 36.2 mt -119.71 13.32 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -53.75 -16.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.01 -17.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.594 ' CE2' ' OD2' ' A' ' 60' ' ' ASP . 96.4 m-85 -100.91 -9.38 21.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.8 m -38.57 -72.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 p -39.91 -50.52 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.468 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 42.3 m -54.8 -37.03 65.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.0 mt -77.04 -45.32 27.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 35' ' ' GLY . 85.4 mt -63.92 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.66 -35.59 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -73.1 -32.63 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 142.51 -33.15 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.9 m-85 -58.7 96.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' C ' HD13 ' A' ' 15' ' ' ILE . 75.8 mt-10 -94.78 -44.62 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -133.73 166.15 23.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 7.5 mt -45.93 -41.75 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -41.64 -33.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.42 -33.34 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.531 HD13 ' CE2' ' A' ' 18' ' ' PHE . 24.7 mt -64.86 -21.16 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -63.91 -10.39 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.99 -4.88 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.412 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 6.3 tt -77.74 145.12 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 176.59 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.2 -42.09 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 55.3 p -62.56 -50.5 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.411 ' CB ' HG13 ' A' ' 45' ' ' ILE . 61.1 m80 -44.35 -53.95 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 64' ' ' LEU . 21.4 mt -49.67 -47.98 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 70.0 mt -52.41 -53.46 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.25 -22.0 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.28 19.17 2.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 m120 74.81 25.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.466 ' CG2' ' HB3' ' A' ' 60' ' ' ASP . 9.4 mt -109.46 28.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.53 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.5 m-20 -77.28 132.22 70.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.87 28.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -53.0 -49.6 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 43.2 t0 -76.09 -46.47 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 66.0 mtm-85 -51.27 -59.63 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.88 -55.76 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.8 mtt-85 -56.05 -36.19 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 50' ' ' LEU . 1.3 tt -72.82 -35.7 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.65 -60.75 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.401 ' HA ' ' CD ' ' A' ' 69' ' ' GLU . 17.9 m -57.43 -18.84 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.44 -55.4 4.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -62.79 -31.54 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 70' ' ' SER . 9.6 pt-20 -67.02 -48.06 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.476 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 t -57.17 -36.86 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 9.5 mt -71.97 -70.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.6 mt -62.3 -72.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -78.67 79.8 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.7 140.09 6.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.32 27.66 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 t -117.71 -59.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 p -50.36 176.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -43.61 -58.22 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -54.7 -59.06 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.59 163.45 31.92 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.424 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -101.79 91.52 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.839 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -103.05 98.3 8.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.3 -51.58 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -70.26 101.98 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.421 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -44.3 128.33 6.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.25 165.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.84 -179.9 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -120.3 146.93 45.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 2.4 tp-100 -98.51 139.84 33.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 t -97.68 136.99 37.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.472 ' CD1' ' C ' ' A' ' 38' ' ' THR . 1.5 mp -44.69 -51.93 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 15' ' ' ILE . 29.9 mm-40 -37.94 -64.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.06 -47.26 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.566 ' CE1' HD13 ' A' ' 71' ' ' LEU . 3.0 t80 -47.7 -29.31 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD11 ' CD1' ' A' ' 31' ' ' LEU . 95.3 mt -88.05 -43.92 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -48.57 -34.15 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 4.8 ptm180 -68.5 -43.25 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 15.1 pt -91.32 1.28 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 64.06 41.15 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.564 HD13 ' CD2' ' A' ' 27' ' ' TYR . 4.0 mm? -114.83 8.66 16.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -51.47 -22.48 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.467 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 13.9 pt-20 -61.08 -9.32 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD2' HD13 ' A' ' 24' ' ' LEU . 96.0 m-85 -112.46 -9.7 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 27' ' ' TYR . 78.8 m -36.99 -71.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -44.74 -47.06 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.449 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 19.6 m -58.26 -30.21 66.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -83.5 -51.55 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' GLY . 55.0 mt -57.76 -59.04 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -46.13 -37.91 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.6 m-80 -72.42 -28.35 62.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.18 -34.35 2.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.444 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.477 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 97.3 m-85 -56.06 93.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' HD11 ' A' ' 15' ' ' ILE . 22.8 mt-10 -94.58 -42.07 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.4 p -134.11 166.42 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 3.8 mt -44.94 -41.89 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -41.09 -36.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.477 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 2.8 m-20 -78.49 -37.45 43.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD11 ' CE2' ' A' ' 18' ' ' PHE . 39.6 mt -67.59 -24.3 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.0 ptmt -58.0 -21.1 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.23 32.93 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.9 tt -104.84 135.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 159.54 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.6 -43.54 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 66.4 p -56.57 -52.84 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -41.26 -55.76 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 61' ' ' ARG . 17.8 mt -48.84 -45.56 40.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.4 mt -54.6 -50.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.71 -21.65 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 94.4 mt -85.16 18.68 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 75.01 25.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.473 ' O ' ' N ' ' A' ' 57' ' ' ASP . 11.9 mt -109.09 29.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -75.88 131.88 75.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.21 8.17 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -48.07 -40.31 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.7 m-20 -80.81 -47.62 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.467 ' CB ' HD11 ' A' ' 50' ' ' LEU . 75.1 mtm-85 -51.3 -52.35 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.64 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -58.99 -29.76 67.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD1' HD21 ' A' ' 50' ' ' LEU . 2.3 tt -78.76 -42.9 26.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 mt -75.06 -63.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -23.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.56 -55.46 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.03 -31.65 42.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -47.1 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -57.36 -39.47 76.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.566 HD13 ' CE1' ' A' ' 18' ' ' PHE . 11.9 mt -66.68 -65.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 74' ' ' GLY . 43.6 mt -57.29 -62.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.0 t -50.82 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 71.78 146.26 0.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.532 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 89.59 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.7 m -127.24 95.59 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.3 p -160.91 136.66 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -116.44 113.79 23.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -98.45 -52.63 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.6 87.34 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 6' ' ' SER . 82.6 p -118.22 71.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.83 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.0 m 35.33 44.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.33 -50.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -168.72 147.55 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.64 156.85 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -136.32 137.11 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' HIS . 28.6 m-20 -59.6 -45.58 91.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ASN . 65.9 m-70 -35.82 134.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.411 ' CG ' ' HB2' ' A' ' 18' ' ' PHE . 5.6 tp-100 -87.83 133.67 33.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 t -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.413 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.4 mp -38.08 -55.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.439 ' OE1' ' N ' ' A' ' 16' ' ' GLN . 0.9 OUTLIER -36.81 -63.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.3 -44.61 82.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CE2' HD11 ' A' ' 42' ' ' LEU . 2.7 t80 -52.93 -24.93 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 HD11 ' CD1' ' A' ' 31' ' ' LEU . 96.0 mt -89.69 -38.99 13.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.51 -28.35 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.67 -41.86 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.409 ' HB ' ' CD2' ' A' ' 24' ' ' LEU . 12.0 pt -92.9 1.14 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 62.41 37.68 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' CD2' ' HB ' ' A' ' 22' ' ' ILE . 1.7 mm? -112.36 15.84 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.1 -14.29 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.63 -16.59 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -103.44 -3.5 25.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.2 m -42.06 -73.24 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -42.51 -48.53 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.47 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 15.0 m -55.07 -39.15 68.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -75.23 -48.1 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.3 mt -61.21 -62.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -44.7 -41.95 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -65.57 -37.46 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.1 -28.83 1.68 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.456 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 94.6 m-85 -64.37 96.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -97.87 -39.87 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 p -134.23 163.73 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.467 HD13 ' CD1' ' A' ' 71' ' ' LEU . 5.8 mt -43.4 -41.35 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 4.1 m-20 -41.02 -40.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.456 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -76.1 -39.67 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.529 HD11 ' CE2' ' A' ' 18' ' ' PHE . 45.7 mt -57.92 -21.58 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 8.0 ptmt -65.42 -11.04 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -110.46 -5.56 15.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.7 tt -79.78 142.89 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -131.57 177.29 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -53.09 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -60.32 -51.96 67.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -43.54 -56.43 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 61' ' ' ARG . 19.7 mt -47.03 -46.48 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.97 -50.43 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.42 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.6 mt -86.91 19.46 3.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 74.82 25.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 12.1 mt -109.71 29.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -42.26 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m-20 -76.0 132.0 74.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.52 6.44 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -47.68 -40.12 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.6 m-20 -81.31 -47.65 13.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' CB ' HD13 ' A' ' 50' ' ' LEU . 70.5 mtm-85 -52.66 -56.81 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.8 -53.25 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.49 -33.52 66.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.462 HD13 ' CD2' ' A' ' 50' ' ' LEU . 1.7 tt -73.41 -56.08 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.3 mt -57.72 -59.73 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 t -45.9 -45.46 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.47 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.43 -49.38 77.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -48.93 -54.6 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -49.14 -41.53 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.467 ' CD1' HD13 ' A' ' 39' ' ' LEU . 6.8 mt -72.73 -69.54 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.11 -72.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -76.6 83.0 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.62 -87.2 0.67 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 157.46 60.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.4 m -52.43 103.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 t -123.49 162.47 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -161.56 149.6 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -131.74 161.21 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.67 -76.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 p 43.28 41.1 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -164.23 169.6 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.97 -149.72 18.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -104.47 101.98 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 mmt-85 -115.67 147.79 40.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.07 21.94 16.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -119.7 123.3 43.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -137.79 133.24 33.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -93.23 141.65 28.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 15.0 t -98.39 149.99 22.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.488 ' CD1' ' C ' ' A' ' 38' ' ' THR . 1.5 mp -58.09 -48.68 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.567 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 2.0 mp0 -43.46 -62.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.75 -41.0 84.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.511 ' CD1' HD12 ' A' ' 71' ' ' LEU . 2.3 t80 -55.14 -30.99 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.468 HD12 ' CD1' ' A' ' 31' ' ' LEU . 94.0 mt -85.69 -43.42 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -47.62 -35.06 8.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -65.02 -39.65 93.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 pt -96.49 5.73 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 63.63 34.69 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -112.63 21.5 15.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.9 -7.52 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -75.37 -16.42 60.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 69.5 m-85 -100.6 -4.42 28.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.7 m -44.13 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -40.27 -49.33 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.436 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 13.4 m -56.38 -35.32 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' CD1' HD12 ' A' ' 19' ' ' LEU . 10.2 mt -78.65 -51.23 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 28' ' ' THR . 31.7 mt -58.82 -56.92 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.55 -33.81 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -77.52 -27.88 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.83 -36.35 1.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -55.47 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.425 ' C ' HD13 ' A' ' 15' ' ' ILE . 18.8 mt-10 -89.03 -44.81 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.488 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 82.0 p -134.32 168.51 18.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.449 ' CD1' HD11 ' A' ' 71' ' ' LEU . 1.4 mm? -45.44 -43.81 11.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 1.9 m-20 -40.53 -33.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.43 -44.02 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 35.1 mt -57.01 -22.46 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 9.3 ptmt -60.56 -10.46 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -113.79 -8.42 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.461 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 6.7 tt -74.47 147.1 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -131.49 178.35 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.54 -46.08 77.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -58.51 -52.24 66.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -41.99 -54.1 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.475 HD12 ' CB ' ' A' ' 61' ' ' ARG . 12.1 mt -49.89 -46.31 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.7 mt -54.61 -46.3 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.0 -20.14 62.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.447 ' C ' ' OD1' ' A' ' 54' ' ' ASN . 95.8 mt -88.77 20.5 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 53' ' ' LEU . 1.4 m120 73.27 27.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.465 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 14.7 mt -110.91 28.59 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -40.6 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.9 OUTLIER -74.75 131.76 78.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -40.82 4.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.74 2.294 . . . . 0.0 112.322 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -46.97 -39.73 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.5 m-20 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.475 ' CB ' HD12 ' A' ' 50' ' ' LEU . 66.1 mtm-85 -52.84 -57.17 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.23 -53.34 58.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -56.37 -36.16 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.471 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.1 tt -70.95 -50.03 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 66' ' ' SER . 4.6 mt -67.95 -68.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' LEU . 31.0 t -38.24 -38.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -53.15 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.53 67.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.34 -36.5 43.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -66.82 -42.74 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.511 HD12 ' CD1' ' A' ' 18' ' ' PHE . 4.2 mt -72.4 -56.89 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 11.0 mt -72.1 159.41 34.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.2 t 54.27 43.62 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.03 -158.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 109.1 2.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -128.24 45.55 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.0 m -58.99 128.26 36.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p 45.57 42.24 7.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -95.27 140.43 30.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.29 116.28 0.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -117.54 82.77 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.362 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -60.11 130.39 46.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.24 120.11 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -106.56 142.04 36.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -136.07 178.56 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.83 107.5 17.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -125.53 -176.55 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -166.03 147.22 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 6.3 tp-100 -101.37 132.68 46.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.0 t -97.01 125.66 41.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 14' ' ' THR . 1.3 mp -34.03 -58.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.434 ' N ' HG23 ' A' ' 15' ' ' ILE . 10.1 mt-30 -34.52 -55.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.51 -47.66 46.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 71' ' ' LEU . 2.1 t80 -51.33 -25.14 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 31' ' ' LEU . 88.5 mt -85.51 -36.43 20.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.88 -33.12 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' CZ ' ' CB ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -72.72 -38.55 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.3 pt -93.77 7.87 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 53.66 35.72 21.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 ' CD2' ' OD1' ' A' ' 60' ' ' ASP . 56.2 mt -118.1 19.95 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 16.7 pt20 -61.21 -11.76 10.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.9 pt-20 -65.93 -15.02 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -105.09 4.54 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' LEU . 85.0 m -47.92 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 p -39.62 -51.1 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 64.8 m -53.38 -37.18 62.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 19' ' ' LEU . 9.8 mt -77.98 -51.49 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -55.9 -61.9 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mp -46.72 -39.83 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -68.1 -30.3 69.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 -33.46 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -56.24 91.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' C ' HD12 ' A' ' 15' ' ' ILE . 25.2 mt-10 -90.83 -45.68 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.8 p -134.12 162.96 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 42' ' ' LEU . 33.3 mt -40.51 -43.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' LEU . 43.2 m-20 -36.86 -41.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.46 -40.59 57.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 39' ' ' LEU . 60.5 mt -61.65 -29.64 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.2 ptmt -54.77 -17.47 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -118.7 31.81 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 tt -102.99 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -128.19 151.16 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -38.25 -40.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -58.91 -48.07 82.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -48.04 -53.15 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 HD13 ' CB ' ' A' ' 61' ' ' ARG . 14.7 mt -50.54 -44.69 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -54.13 -53.22 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.94 -23.34 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 87.2 mt -83.43 17.1 2.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 75.0 25.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.458 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 10.1 mt -108.42 29.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.47 -24.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -75.21 132.68 76.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.76 7.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.39 -43.87 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 12.0 m-20 -77.38 -48.36 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' CB ' HD13 ' A' ' 50' ' ' LEU . 72.6 mtm-85 -49.2 -57.3 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.61 -53.08 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.3 mtt180 -56.53 -31.24 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.456 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.2 tt -78.09 -42.76 31.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mt -74.55 -61.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 m -46.39 -39.44 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.33 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.17 -32.59 55.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -57.35 -40.34 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 18' ' ' PHE . 9.3 mt -64.53 -64.24 0.93 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 34.0 mt -59.51 -71.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.2 p -88.59 81.91 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 149.61 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 104.12 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.312 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m 46.0 45.28 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 t -78.36 141.18 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -107.72 116.56 32.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 m -157.4 136.27 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.27 -108.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -67.04 83.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.84 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -84.76 -54.41 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.34 46.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -131.9 124.44 29.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.404 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 4.6 ppt_? -80.83 160.68 24.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -131.97 144.13 50.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -135.54 -175.61 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -125.33 154.34 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.1 tp-100 -94.35 139.61 30.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.8 t -102.08 130.86 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.442 ' CD1' ' C ' ' A' ' 38' ' ' THR . 1.5 mp -36.24 -54.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.554 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 1.6 mp0 -38.2 -65.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.18 -42.07 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CE2' HD13 ' A' ' 42' ' ' LEU . 2.9 t80 -55.75 -25.16 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.466 HD11 ' CD1' ' A' ' 31' ' ' LEU . 98.2 mt -90.43 -38.17 13.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -53.23 -34.22 56.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -70.0 -41.69 74.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.445 HD13 ' CD1' ' A' ' 24' ' ' LEU . 5.6 pt -90.03 4.35 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 60.3 32.82 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.445 ' CD1' HD13 ' A' ' 22' ' ' ILE . 60.4 mt -116.83 25.54 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -15.37 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -66.54 -9.92 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -107.44 -1.73 21.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' LEU . 89.8 m -44.69 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -39.42 -49.44 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.427 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 55.4 m -55.93 -36.62 67.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.56 -48.07 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 73.6 mt -60.16 -60.96 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mp -45.89 -42.41 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -65.32 -33.47 76.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.85 -30.17 2.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.419 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 93.9 m-85 -62.99 97.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' HD12 ' A' ' 15' ' ' ILE . 22.9 mt-10 -97.06 -43.16 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -134.16 167.18 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.462 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 6.3 mt -45.61 -39.82 8.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -41.49 -35.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.419 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 5.8 m-20 -81.85 -38.84 24.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.558 HD13 ' CE2' ' A' ' 18' ' ' PHE . 65.8 mt -61.21 -34.39 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 8.4 ptmt -53.16 -15.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.37 29.0 8.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.7 tt -102.72 146.42 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -127.64 156.51 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -40.85 -42.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 6.1 m -59.47 -55.2 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -39.36 -54.77 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 61' ' ' ARG . 70.4 mt -50.82 -53.22 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 77.5 mt -45.13 -54.29 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.13 -21.74 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.3 mt -85.76 20.11 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 74.95 25.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.0 mt -111.64 30.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.12 -22.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -75.8 136.53 70.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -43.96 2.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.758 2.305 . . . . 0.0 112.33 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -48.67 -42.18 33.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 31.0 m-20 -74.88 -47.61 29.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 76.4 mtm-85 -58.5 -63.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.19 -57.23 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -49.14 -30.46 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tt -78.54 -46.12 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' CD1' HD13 ' A' ' 50' ' ' LEU . 8.0 mp -58.43 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -41.99 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.86 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.67 -38.9 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' SER . 28.5 mm-40 -64.26 -50.64 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -52.95 -44.56 67.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.471 HD11 ' CE1' ' A' ' 18' ' ' PHE . 7.7 mt -64.04 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 8.9 mt -60.24 -59.27 5.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' GLU . 8.6 t 42.31 36.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.63 -100.52 2.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 130.67 19.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.218 . . . . 0.0 112.34 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 t -93.59 -55.82 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 m -149.55 122.13 8.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -80.47 -45.08 18.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 p -55.89 177.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.18 106.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -69.06 95.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -113.02 167.14 10.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.46 -102.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -124.16 25.39 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -134.0 160.02 38.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -103.06 121.92 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -149.67 178.55 8.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -136.32 152.24 50.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -97.31 141.05 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.9 t -98.43 145.5 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.426 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -52.01 -48.56 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -39.99 -69.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -65.35 -42.1 93.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.506 ' CE2' HD12 ' A' ' 42' ' ' LEU . 1.9 t80 -52.3 -24.03 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD21 ' CE2' ' A' ' 18' ' ' PHE . 92.9 mt -92.65 -40.1 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.72 -29.06 17.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -72.12 -40.17 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.468 ' O ' ' CD2' ' A' ' 24' ' ' LEU . 11.5 pt -95.93 3.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 62.79 40.56 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.552 HD12 ' CD2' ' A' ' 27' ' ' TYR . 3.8 mm? -118.12 13.65 13.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.49 -14.18 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.45 -9.87 55.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.552 ' CD2' HD12 ' A' ' 24' ' ' LEU . 97.6 m-85 -107.43 -5.84 17.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' LEU . 89.5 m -39.63 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 p -39.41 -49.31 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 23.1 m -56.33 -36.77 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.46 -51.07 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 35' ' ' GLY . 45.7 mt -57.77 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -46.2 -35.15 4.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -74.18 -28.77 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 138.22 -32.98 2.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.446 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 97.6 m-85 -58.51 101.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.426 ' C ' HD13 ' A' ' 15' ' ' ILE . 14.0 mt-10 -100.17 -45.29 5.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -134.3 163.75 28.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.439 ' CD1' HD11 ' A' ' 71' ' ' LEU . 1.4 mm? -41.21 -39.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.27 -41.87 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.446 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 10.5 m-20 -73.18 -42.98 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.506 HD12 ' CE2' ' A' ' 18' ' ' PHE . 66.8 mt -58.57 -18.89 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 8.8 ptmt -58.95 -19.34 42.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.97 29.17 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.3 tt -103.31 133.5 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -119.0 169.64 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.18 -44.47 43.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 m -57.32 -51.24 70.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -42.82 -54.12 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CD2' ' CD1' ' A' ' 64' ' ' LEU . 25.6 mt -52.1 -47.72 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.404 HG12 ' NH1' ' A' ' 61' ' ' ARG . 56.2 mt -49.59 -55.59 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.07 -21.15 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.7 mt -84.93 19.85 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 71.78 24.93 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 57' ' ' ASP . 9.8 mt -107.81 28.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.59 -26.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.1 m-20 -73.97 130.64 82.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.615 0.722 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.93 5.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -46.63 -35.95 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 18.4 m-20 -86.42 -46.43 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.463 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 70.7 mtm-85 -54.2 -55.32 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.0 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -56.59 -38.34 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 2.4 tt -69.32 -37.45 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mt -76.18 -63.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.6 t -47.03 -20.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.7 -54.01 4.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.3 pt-20 -64.57 -47.43 78.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.1 t -58.84 -43.76 90.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.439 HD11 ' CD1' ' A' ' 39' ' ' LEU . 3.1 mt -70.04 -56.25 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.441 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 9.8 mt -71.96 145.74 48.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.2 p -37.71 -45.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.94 143.7 6.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.87 29.46 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.248 . . . . 0.0 112.381 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -46.81 -56.94 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.4 m -103.24 109.76 21.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -134.1 147.65 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 p -174.97 151.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.17 48.76 3.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -166.91 107.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 t -154.37 166.22 33.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.67 44.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -92.74 100.91 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.66 19.75 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -97.09 102.53 14.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.42 143.0 27.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -110.85 122.59 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.7 tp-100 -101.33 129.85 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 t -85.64 128.11 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.46 ' CD1' ' C ' ' A' ' 38' ' ' THR . 1.4 mp -37.94 -59.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 15' ' ' ILE . 8.1 mt-30 -34.11 -62.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CE1' HD12 ' A' ' 71' ' ' LEU . 2.5 t80 -53.69 -28.37 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 31' ' ' LEU . 65.9 mt -84.78 -45.63 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.471 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 6.8 ptm180 -66.87 -46.22 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.471 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 15.3 pt -88.09 0.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 63.74 36.92 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -113.87 20.7 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -61.01 -13.47 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.4 -17.0 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -102.46 -7.07 22.24 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.0 m -37.79 -73.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -42.79 -48.65 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.409 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 63.9 m -55.64 -38.71 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.1 mt -75.37 -52.87 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 35.4 mt -56.91 -57.43 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 mt -47.77 -48.38 30.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.0 m-80 -60.49 -34.11 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.05 -30.34 1.91 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.434 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 97.6 m-85 -59.59 91.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.407 ' C ' HD11 ' A' ' 15' ' ' ILE . 16.0 mt-10 -90.69 -44.15 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 80.8 p -134.11 168.94 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 9.0 mt -45.95 -42.23 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -42.47 -33.56 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.434 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 4.9 m-20 -79.22 -37.74 37.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 39' ' ' LEU . 88.6 mt -67.95 -30.55 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.1 ptmt -50.53 -23.53 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.04 32.68 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.4 tt -101.76 145.46 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' GLU . 15.5 mmtp -126.25 150.28 48.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' LYS . 34.3 tt0 -37.84 -37.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -63.68 -49.93 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -44.32 -52.91 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.525 ' CD2' ' CD1' ' A' ' 64' ' ' LEU . 34.8 mt -50.46 -49.27 55.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.05 -53.43 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -63.05 -21.88 66.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.7 mt -84.02 17.88 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m120 75.0 25.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 57' ' ' ASP . 14.9 mt -108.8 30.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.74 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.7 m-20 -75.63 130.19 79.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.14 2.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.1 -30.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 20.4 m-20 -90.99 -43.53 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' CB ' HD12 ' A' ' 50' ' ' LEU . 72.8 mtm-85 -56.67 -50.88 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 31.9 mtt180 -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.525 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 2.3 tt -70.27 -45.71 65.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 mt -71.38 -59.92 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -52.92 -18.61 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' A' ' 63' ' ' ARG . . . -87.84 -56.55 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.45 -32.83 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' SER . 15.0 pt-20 -65.57 -48.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.55 -38.88 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.565 HD12 ' CE1' ' A' ' 18' ' ' PHE . 15.0 mt -63.97 -56.58 14.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.465 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 14.4 mt -73.11 -17.25 61.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' GLU . 3.0 m -65.31 -56.09 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -138.88 154.07 23.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.25 4.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 t -37.93 114.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t -125.64 104.08 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 m -77.29 -58.17 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -61.75 132.18 52.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.6 89.52 0.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -72.12 105.94 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t -63.77 90.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.62 -128.34 9.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 59.29 45.48 14.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -116.77 162.2 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -101.26 41.99 1.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -152.62 142.46 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -133.71 137.3 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 14' ' ' THR . 1.9 tp-100 -99.37 138.09 36.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.462 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 10.1 t -101.86 124.57 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 14' ' ' THR . 1.2 mp -35.65 -48.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.69 -46.82 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -80.69 -41.52 23.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.564 ' CE1' HD13 ' A' ' 71' ' ' LEU . 3.1 t80 -58.31 -23.66 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 31' ' ' LEU . 63.9 mt -87.78 -45.83 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -48.08 -36.8 13.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -62.88 -39.45 94.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.441 ' CG1' HD23 ' A' ' 24' ' ' LEU . 13.2 pt -95.9 2.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 63.83 36.82 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.441 HD23 ' CG1' ' A' ' 22' ' ' ILE . 2.0 mm? -114.01 17.56 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.447 ' NE2' ' H ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -57.27 -12.41 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.32 -14.99 63.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.2 m-85 -104.53 -6.46 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -40.47 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -42.39 -50.13 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.412 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 50.2 m -54.26 -38.92 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.1 mt -74.81 -51.1 14.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 42.2 mt -57.91 -58.71 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -46.95 -44.17 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -64.6 -36.14 83.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.57 -34.31 1.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.408 ' OH ' ' CD2' ' A' ' 49' ' ' HIS . 98.1 m-85 -56.13 96.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -96.05 -46.83 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.412 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 72.7 p -129.58 167.38 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.461 ' O ' ' N ' ' A' ' 42' ' ' LEU . 8.3 mt -43.5 -43.92 5.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -41.17 -42.28 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 13.8 m-20 -69.51 -34.78 74.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 39' ' ' LEU . 57.6 mt -70.14 -22.22 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -59.05 -21.26 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.02 28.75 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.1 tt -99.23 144.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -128.52 154.44 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -39.75 -40.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -61.54 -51.51 68.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.408 ' CD2' ' OH ' ' A' ' 36' ' ' TYR . 18.4 m80 -42.81 -54.42 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.495 ' CD2' ' CD1' ' A' ' 64' ' ' LEU . 39.2 mt -49.35 -49.85 42.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.5 mt -51.85 -52.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.79 -21.06 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 89.5 mt -85.54 19.69 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 t30 73.6 25.02 2.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 57' ' ' ASP . 7.7 mt -109.47 29.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -38.56 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -74.0 129.68 84.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.15 3.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -44.51 -33.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.445 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 36.3 m-20 -88.5 -45.19 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' CB ' HD13 ' A' ' 50' ' ' LEU . 74.7 mtm-85 -53.61 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.07 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 39.1 mtt-85 -58.16 -35.96 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.495 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 2.4 tt -71.59 -39.83 70.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.3 mt -77.25 -63.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.5 m -50.1 -18.69 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' A' ' 63' ' ' ARG . . . -86.4 -55.05 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.4 -30.58 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 70' ' ' SER . 16.5 pt-20 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -57.36 -32.06 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.564 HD13 ' CE1' ' A' ' 18' ' ' PHE . 12.3 mt -73.21 -58.06 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 73' ' ' SER . 17.7 mt -64.25 -56.43 14.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 72' ' ' LEU . 7.0 t -34.57 -53.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.9 88.04 0.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -11.85 31.65 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.7 m -74.36 94.54 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 m -73.48 116.06 13.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -149.76 131.66 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.883 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -106.29 139.33 40.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.66 -45.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -119.87 141.73 49.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -53.85 134.27 42.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.08 -101.39 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.421 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -118.52 105.69 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -85.43 174.32 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -66.12 109.83 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -122.8 -179.37 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -130.88 152.8 49.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 14' ' ' THR . 3.4 tp-100 -104.06 139.64 38.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.466 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 4.4 t -97.56 135.94 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.454 ' CD1' ' C ' ' A' ' 38' ' ' THR . 1.3 mp -41.47 -46.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.422 ' CD ' HG22 ' A' ' 28' ' ' THR . 30.7 mm-40 -44.55 -69.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.8 mm-40 -61.6 -35.57 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' CE2' HD11 ' A' ' 42' ' ' LEU . 2.1 t80 -61.13 -30.74 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.418 HD11 ' CD1' ' A' ' 31' ' ' LEU . 75.5 mt -84.86 -40.13 17.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -48.92 -42.95 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -57.8 -40.45 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.3 pt -95.41 8.73 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 54.53 41.74 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 28.1 mt -117.42 20.04 13.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.45 -12.84 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.546 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.1 pt-20 -69.14 -21.18 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.546 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 94.8 m-85 -97.93 -5.34 34.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.422 HG22 ' CD ' ' A' ' 16' ' ' GLN . 26.8 m -42.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 63.9 p -41.65 -47.55 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.457 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 29.9 m -57.54 -39.45 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.418 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.7 mt -73.32 -47.7 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.9 mt -62.94 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.88 -35.58 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -74.12 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.49 -35.31 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -55.58 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.936 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -98.95 -43.52 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 76.2 p -131.21 167.18 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 4.5 mt -48.44 -38.98 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.01 -28.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.23 -40.57 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.561 HD11 ' CE2' ' A' ' 18' ' ' PHE . 62.3 mt -62.87 -27.38 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.6 ptmt -55.87 -17.32 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -117.03 29.7 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.8 tt -104.05 144.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.65 158.67 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -42.03 -43.46 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 89.1 p -56.78 -54.81 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -40.6 -57.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' CD1' ' HA ' ' A' ' 61' ' ' ARG . 15.8 mt -49.53 -52.98 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.404 HG12 ' NH1' ' A' ' 61' ' ' ARG . 74.0 mt -46.73 -53.47 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.88 -22.63 67.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 88.9 mt -84.48 19.01 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 74.92 24.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.455 HG12 ' CE1' ' A' ' 27' ' ' TYR . 4.8 mt -110.36 31.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.184 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.69 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.1 t70 -73.98 133.24 79.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -48.06 -34.93 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -83.35 -45.98 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.462 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 71.2 mtm-85 -59.51 -58.99 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.9 -55.65 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 52.6 mtt-85 -53.69 -38.34 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tt -67.87 -49.45 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.88 -60.37 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -52.75 -16.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.63 -52.99 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.37 -35.74 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.528 ' CG ' ' N ' ' A' ' 70' ' ' SER . 4.7 pt-20 -60.37 -50.22 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.4 t -55.89 -40.69 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.9 mt -70.38 -63.34 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 4.2 mt -70.38 165.1 23.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.8 p -106.77 39.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.78 84.97 0.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.2 28.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.6 p -131.48 123.15 27.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.6 p 42.44 44.12 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -93.89 93.04 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -99.48 173.81 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.62 133.47 5.94 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.433 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -101.22 90.83 4.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -69.18 -47.27 65.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.4 162.92 31.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -95.08 31.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -158.43 147.64 19.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 15.6 pt-20 -72.96 -0.57 14.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' GLU . 15.8 m-80 35.01 34.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.568 ' CE1' ' HB2' ' A' ' 10' ' ' GLU . 63.3 m170 -77.93 128.46 33.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 14' ' ' THR . 2.8 tp-100 -91.66 137.35 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.493 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 10.1 t -98.46 132.56 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.438 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.4 mp -37.21 -57.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.522 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 2.5 mp0 -34.92 -70.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -60.58 -42.01 95.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.566 ' CE2' HD13 ' A' ' 42' ' ' LEU . 2.2 t80 -54.43 -28.77 46.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 31' ' ' LEU . 96.7 mt -86.01 -37.75 18.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.89 -33.04 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -68.74 -39.93 80.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.6 pt -94.42 7.88 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 54.69 35.36 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.483 ' CD2' ' OD1' ' A' ' 60' ' ' ASP . 44.5 mt -115.06 16.89 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.13 -12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -67.48 -10.07 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -108.85 0.63 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.423 ' O ' ' N ' ' A' ' 31' ' ' LEU . 84.7 m -45.62 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -39.88 -49.46 2.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 6.5 m -55.83 -38.69 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.4 mt -74.9 -48.07 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 32.7 mt -62.13 -60.61 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -45.65 -37.23 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -71.54 -38.01 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 -32.15 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.441 ' OH ' ' CD2' ' A' ' 49' ' ' HIS . 93.8 m-85 -60.48 97.72 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.367 . . . . 0.0 110.927 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.406 ' C ' HD13 ' A' ' 15' ' ' ILE . 43.6 mt-10 -96.97 -44.86 6.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -133.25 168.07 19.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.43 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 5.6 mt -47.12 -36.34 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 14.7 t70 -46.02 -33.5 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.62 -36.24 22.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.566 HD13 ' CE2' ' A' ' 18' ' ' PHE . 41.4 mt -61.55 -34.24 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -55.06 -14.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -115.26 25.83 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.1 tt -103.51 144.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -127.3 156.24 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -39.71 -40.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 84.3 p -60.72 -51.99 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.441 ' CD2' ' OH ' ' A' ' 36' ' ' TYR . 51.8 m80 -43.03 -55.2 3.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.475 HD22 ' CD1' ' A' ' 64' ' ' LEU . 26.9 mt -48.45 -48.58 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.421 HG12 ' NH1' ' A' ' 61' ' ' ARG . 71.2 mt -52.24 -52.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.3 -20.5 64.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 86.6 mt -89.54 23.85 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m120 68.71 24.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.468 ' O ' ' N ' ' A' ' 57' ' ' ASP . 10.1 mt -106.29 27.35 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.66 -24.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -73.9 131.59 81.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.841 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.53 10.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.6 -42.92 35.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 32.5 m-20 -78.65 -47.96 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' CG ' HD11 ' A' ' 50' ' ' LEU . 70.8 mtm-85 -54.4 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -43.39 -58.24 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -53.89 -49.91 67.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' CD1' HD22 ' A' ' 50' ' ' LEU . 1.5 tt -56.04 -35.12 66.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.6 mt -74.68 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.6 t -59.02 -18.09 31.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.68 -57.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.4 -33.67 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 70' ' ' SER . 11.9 pt-20 -65.04 -49.27 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.51 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.73 -42.74 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 7.6 mt -68.59 -63.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.462 HD12 ' CB ' ' A' ' 43' ' ' LYS . 9.0 mt -71.25 -66.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.1 t -85.75 70.4 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.9 -159.92 11.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 124.26 10.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.6 t -68.98 -44.74 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.6 t -39.92 -61.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t 52.94 42.26 32.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -77.04 82.61 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.4 -88.93 0.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -119.91 162.37 19.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -139.29 173.01 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 144.42 -134.26 5.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.7 tmm_? 35.23 54.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -179.61 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.61 152.84 43.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -64.96 179.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -135.1 146.95 49.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.459 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.0 tp-100 -107.29 141.29 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 t -99.48 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 1.4 mp -53.17 -44.36 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -43.72 -68.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -66.32 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CE2' HD11 ' A' ' 42' ' ' LEU . 1.9 t80 -54.26 -26.33 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 31' ' ' LEU . 86.5 mt -90.41 -40.39 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.434 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 10.2 mt-10 -51.38 -23.16 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 1.7 ptp180 -79.41 -38.26 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.1 pt -94.64 8.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 55.4 33.45 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.1 mt -116.3 25.16 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -67.19 -7.77 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.488 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.5 pt-20 -71.9 -12.32 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.488 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.5 m-85 -106.3 -8.06 17.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 31' ' ' LEU . 89.4 m -38.18 -71.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.6 p -39.95 -50.04 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 52.7 m -55.5 -36.43 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD1' HD12 ' A' ' 19' ' ' LEU . 11.6 mt -77.86 -52.2 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 19.7 mt -57.2 -57.97 10.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.0 mp -48.35 -41.96 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -28.65 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 -38.53 1.64 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -57.7 100.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -110.96 -31.64 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.9 p -132.16 156.48 46.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' LEU . 9.3 mt -43.7 -45.81 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.26 -38.66 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.25 -34.45 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.501 HD11 ' CE2' ' A' ' 18' ' ' PHE . 27.3 mt -65.52 -21.32 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 6.8 ptmt -67.26 -11.95 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.37 -2.46 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 6.5 tt -84.81 148.24 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 172.15 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -50.41 -49.89 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -49.33 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.406 ' CB ' HG13 ' A' ' 45' ' ' ILE . 41.5 m80 -45.37 -55.98 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' CD1' ' HA ' ' A' ' 61' ' ' ARG . 23.8 mt -50.58 -51.11 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.417 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 62.8 mt -47.94 -50.06 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.39 -20.9 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.5 mt -87.56 21.5 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.65 26.86 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.47 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 8.2 mt -113.09 30.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.12 -22.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' ILE . 4.6 m-20 -75.44 131.73 77.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.85 15.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -52.27 -46.82 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.6 m-20 -74.84 -48.62 24.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 60.1 mtm-85 -52.7 -59.7 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.21 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -56.38 -26.72 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tt -83.45 -34.24 25.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.13 -55.88 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.3 m -59.96 -17.69 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.82 -53.55 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.19 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.1 pt-20 -66.07 -48.96 69.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.498 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.5 t -55.89 -39.7 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 8.4 mt -71.94 -69.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 97.1 mt -48.31 -36.19 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 t -91.72 59.18 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.81 85.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 103.66 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -109.42 128.13 54.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m 45.44 45.28 10.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.533 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p -40.98 -61.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -97.3 173.31 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.52 42.13 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -89.82 132.16 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -96.34 41.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.7 95.52 1.89 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -82.95 83.83 7.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -117.62 -177.24 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -122.74 108.74 13.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.1 m-80 -58.05 155.7 10.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -123.65 145.3 49.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -106.21 139.2 41.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.8 t -90.86 146.52 23.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.423 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.3 mp -57.29 -51.22 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -41.65 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -65.3 -43.12 92.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.507 ' CD1' HD13 ' A' ' 71' ' ' LEU . 1.4 t80 -51.36 -36.28 42.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 31' ' ' LEU . 91.1 mt -79.29 -35.76 40.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.36 -35.92 20.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 7.6 ptm180 -63.4 -48.09 79.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.502 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 9.9 pt -91.07 1.83 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 21.1 m-70 63.66 38.09 9.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.549 HD13 ' CD2' ' A' ' 27' ' ' TYR . 3.8 mm? -107.7 10.16 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.7 pt20 -53.94 -18.54 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.516 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 17.5 pt-20 -65.95 -8.51 23.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD2' HD13 ' A' ' 24' ' ' LEU . 98.0 m-85 -110.43 -1.33 17.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.443 HG21 ' CD1' ' A' ' 32' ' ' LEU . 89.5 m -42.59 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 m -41.52 -49.39 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.48 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 29.6 m -54.59 -36.39 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.0 mt -78.67 -49.63 12.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.443 ' CD1' HG21 ' A' ' 28' ' ' THR . 51.9 mt -58.54 -59.01 6.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mp -47.11 -37.65 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -71.74 -30.36 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.67 -28.53 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -62.79 94.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' C ' HD13 ' A' ' 15' ' ' ILE . 21.1 mt-10 -96.77 -39.59 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -134.19 164.26 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.465 ' CD1' HD11 ' A' ' 71' ' ' LEU . 0.5 OUTLIER -47.05 -44.31 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.96 -33.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.48 -39.31 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CD1' HD23 ' A' ' 39' ' ' LEU . 26.0 mt -61.3 -21.02 63.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 10.0 ptmt -60.7 -9.68 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.18 -18.61 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.414 HG13 ' CB ' ' A' ' 49' ' ' HIS . 4.0 tt -63.18 139.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -128.17 178.49 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -51.29 -46.82 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 p -59.7 -55.24 36.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . 0.414 ' CB ' HG13 ' A' ' 45' ' ' ILE . 67.3 m80 -41.04 -56.49 2.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 HD12 ' CB ' ' A' ' 61' ' ' ARG . 29.2 mt -48.54 -48.75 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 66.5 mt -52.58 -50.06 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -66.71 -20.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -87.77 21.66 2.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 74.62 26.19 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.471 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 9.9 mt -112.9 30.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.57 -22.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -76.85 133.07 70.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -32.12 19.36 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -53.33 -49.51 66.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.471 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 29.8 m-20 -72.83 -49.18 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.48 ' CB ' HD12 ' A' ' 50' ' ' LEU . 67.3 mtm-85 -48.94 -59.38 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.89 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -53.35 -39.17 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.475 ' CD1' HD21 ' A' ' 50' ' ' LEU . 1.8 tt -68.34 -56.27 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.468 ' CD2' HD13 ' A' ' 50' ' ' LEU . 4.1 mt -59.49 -68.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -39.29 -43.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.18 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.41 65.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -51.56 -34.53 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -68.34 -48.24 65.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.507 HD13 ' CD1' ' A' ' 18' ' ' PHE . 13.2 mt -62.6 -51.35 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 13.8 mt -80.05 154.63 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -101.88 48.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.06 146.18 16.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 146.6 60.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.395 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.7 m -111.71 35.43 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.4 p -79.78 147.56 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -102.58 133.61 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -135.96 140.41 43.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.55 102.94 2.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -131.62 90.28 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m -123.34 158.29 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.62 85.31 1.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 5.3 ptp180 -146.59 133.94 20.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.97 130.08 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -64.4 100.77 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -98.12 -179.22 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -136.5 147.51 47.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.452 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.4 tp-100 -96.58 142.61 28.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 15' ' ' ILE . 10.5 t -105.72 126.57 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.442 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.3 mp -34.51 -60.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 15' ' ' ILE . 15.0 mt-30 -33.74 -63.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -66.51 -46.39 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CE1' HD13 ' A' ' 71' ' ' LEU . 3.1 t80 -50.53 -24.83 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 31' ' ' LEU . 86.4 mt -89.2 -41.94 11.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -48.43 -35.73 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 11.3 ptp180 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.446 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 28.6 pt -90.99 -0.26 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' LEU . 2.9 m-70 64.77 46.73 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD13 ' CD2' ' A' ' 27' ' ' TYR . 4.3 mm? -121.17 13.1 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.44 -13.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.56 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 8.0 pt-20 -70.28 -9.1 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.57 ' CD2' HD13 ' A' ' 24' ' ' LEU . 97.7 m-85 -109.96 -9.25 14.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.41 HG21 ' CD1' ' A' ' 32' ' ' LEU . 20.9 m -36.33 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -42.42 -50.98 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 64.1 m -54.0 -38.59 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 19' ' ' LEU . 10.5 mt -74.95 -54.59 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' A' ' 28' ' ' THR . 39.1 mt -55.54 -58.73 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.17 -41.09 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.31 -31.84 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.94 -37.42 1.59 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -53.65 91.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' HD12 ' A' ' 15' ' ' ILE . 37.8 mt-10 -93.62 -43.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -132.21 167.54 19.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 6.4 mt -47.11 -38.13 10.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -45.19 -35.28 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -80.37 -37.04 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.9 mt -65.69 -32.91 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -52.92 -17.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.53 30.16 7.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.2 tt -104.1 147.47 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -127.74 152.25 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -39.46 -39.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.2 m -61.84 -51.94 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -42.32 -54.18 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD13 ' CB ' ' A' ' 61' ' ' ARG . 38.4 mt -49.28 -49.99 41.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.4 mt -49.98 -52.3 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -22.24 66.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 91.8 mt -83.66 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 75.04 25.43 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 57' ' ' ASP . 13.8 mt -108.3 29.69 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -37.69 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.8 m-20 -74.17 129.2 84.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -36.71 10.12 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.284 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -47.32 -39.81 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.0 m-20 -82.59 -46.87 12.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.465 ' CB ' HD13 ' A' ' 50' ' ' LEU . 72.3 mtm-85 -51.23 -55.48 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.06 49.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -55.48 -38.91 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.431 ' CD1' ' CD2' ' A' ' 50' ' ' LEU . 2.3 tt -68.21 -48.07 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.7 mt -68.52 -66.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -39.9 -39.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.99 -56.52 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.6 -37.81 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.63 -48.23 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -58.71 -48.3 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' A' ' 18' ' ' PHE . 11.4 mt -56.96 -50.85 71.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.23 174.14 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.9 p -71.26 -46.63 60.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.59 145.96 5.43 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -3.63 12.41 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.9 p -42.74 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.9 t -132.88 115.71 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 p -75.21 -31.27 60.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -120.82 36.46 4.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.36 141.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -130.18 123.4 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -109.02 -58.14 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.88 121.21 1.33 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -49.28 124.85 9.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' GLU . 35.9 mmt180 -139.82 175.59 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -35.08 147.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -106.12 156.2 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -136.74 137.41 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.463 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.5 tp-100 -94.54 135.23 36.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.409 ' O ' ' C ' ' A' ' 15' ' ' ILE . 11.5 t -98.92 130.2 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.454 HG21 ' CD1' ' A' ' 19' ' ' LEU . 1.4 mp -36.65 -58.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 15' ' ' ILE . 8.7 mt-30 -34.47 -63.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 56.9 mt-10 -66.18 -46.4 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CE1' HD12 ' A' ' 71' ' ' LEU . 3.4 t80 -51.18 -25.93 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.454 ' CD1' HG21 ' A' ' 15' ' ' ILE . 79.6 mt -88.51 -38.64 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -51.87 -29.8 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -75.41 -34.92 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.444 ' CG1' ' HA ' ' A' ' 19' ' ' LEU . 6.7 pt -95.33 5.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 55.66 39.28 30.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 33.5 mt -124.99 19.82 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -58.09 -14.14 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -16.43 63.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.598 ' CE1' ' OD2' ' A' ' 60' ' ' ASP . 78.6 m-85 -99.19 0.15 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 90.1 m -47.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -46.26 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.453 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 30.7 m -58.42 -38.91 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 mt -75.87 -48.08 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 62.6 mt -61.65 -58.62 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -47.48 -38.64 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.3 m-80 -71.5 -31.18 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.99 -34.99 1.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -57.22 95.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' HD13 ' A' ' 15' ' ' ILE . 32.6 mt-10 -95.89 -45.88 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -131.1 168.72 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 5.4 mt -48.03 -43.05 29.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.38 -33.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -39.78 23.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' A' ' 39' ' ' LEU . 72.5 mt -61.56 -33.1 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -54.3 -16.2 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.16 28.64 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 6.5 tt -103.37 145.8 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.28 157.04 39.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -41.56 -42.58 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 13.9 m -59.0 -54.86 42.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -40.61 -52.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 61' ' ' ARG . 54.0 mt -52.78 -52.8 55.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.419 HG12 ' NH1' ' A' ' 61' ' ' ARG . 62.4 mt -46.86 -52.21 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.47 -22.96 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.421 ' CD2' ' CG ' ' A' ' 34' ' ' ASN . 85.0 mt -83.35 17.22 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 74.99 25.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 57' ' ' ASP . 6.9 mt -105.25 29.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.56 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.2 m-20 -77.68 129.76 75.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.24 27.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.68 -42.13 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.598 ' OD2' ' CE1' ' A' ' 27' ' ' TYR . 40.2 t0 -81.76 -46.72 13.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.472 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 74.5 mtm-85 -53.06 -49.47 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.93 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -57.55 -29.45 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.468 HD12 ' CD2' ' A' ' 50' ' ' LEU . 2.1 tt -78.55 -46.98 18.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.24 -57.37 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -51.54 -47.55 63.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.79 -54.87 39.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -56.36 -38.63 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.89 -48.8 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -56.68 -48.13 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 18' ' ' PHE . 9.1 mt -59.25 -56.23 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.62 169.83 17.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.3 m -132.36 46.75 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.04 145.74 19.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -3.18 11.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.8 m -70.61 107.99 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.4 p -109.0 117.07 33.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.525 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -74.68 103.02 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -93.66 148.98 21.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.16 -66.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -121.27 139.62 53.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -157.28 137.68 12.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.35 -63.84 4.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -132.54 139.03 47.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -112.1 163.01 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -72.09 168.45 18.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -46.64 151.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -127.52 138.5 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 -96.83 130.88 44.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 15' ' ' ILE . 14.9 t -94.02 130.68 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.4 mp -35.95 -56.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' ILE . 1.6 mp0 -35.53 -71.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -59.27 -41.0 87.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.515 ' CE2' HD13 ' A' ' 42' ' ' LEU . 2.3 t80 -56.36 -26.27 52.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 31' ' ' LEU . 89.6 mt -90.8 -39.47 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -51.19 -29.32 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 ptm180 -72.99 -38.3 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.424 HD12 ' CD1' ' A' ' 24' ' ' LEU . 6.5 pt -96.28 7.15 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 57.47 38.76 28.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD1' HD12 ' A' ' 22' ' ' ILE . 14.2 mt -117.22 19.32 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -60.24 -18.86 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.448 ' HG3' ' CD1' ' A' ' 27' ' ' TYR . 17.4 pt-20 -62.66 -8.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' CD1' ' HG3' ' A' ' 26' ' ' GLU . 96.1 m-85 -110.02 -9.27 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 27' ' ' TYR . 25.8 m -37.41 -67.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -46.56 -50.25 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.469 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 61.2 m -52.88 -38.11 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 19' ' ' LEU . 9.5 mt -75.75 -51.11 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 35' ' ' GLY . 60.6 mt -58.0 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 mp -46.59 -39.34 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -70.19 -28.13 65.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 136.45 -31.58 2.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.424 ' CZ ' HD12 ' A' ' 45' ' ' ILE . 85.2 m-85 -61.85 97.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -99.44 -42.03 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 36.5 p -129.49 165.28 21.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 42' ' ' LEU . 8.8 mt -46.67 -44.63 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -40.85 -33.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.6 -32.87 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.515 HD13 ' CE2' ' A' ' 18' ' ' PHE . 29.8 mt -67.11 -30.0 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -58.13 -12.26 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -107.06 -11.59 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.424 HD12 ' CZ ' ' A' ' 36' ' ' TYR . 4.0 tt -73.46 143.0 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -128.1 -179.44 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -55.69 -46.99 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 52.6 p -58.46 -55.8 30.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -39.97 -57.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.474 HD12 ' CB ' ' A' ' 61' ' ' ARG . 32.9 mt -48.09 -50.08 29.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.5 mt -51.35 -51.09 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -65.61 -21.13 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.444 ' CD2' ' OD1' ' A' ' 34' ' ' ASN . 94.2 mt -86.03 19.76 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 75.0 26.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.464 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 8.1 mt -111.54 30.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.47 -24.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -74.74 129.55 83.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -30.48 22.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.13 -49.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.464 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 5.3 m-20 -74.11 -48.58 28.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.474 ' CB ' HD12 ' A' ' 50' ' ' LEU . 62.5 mtm-85 -47.52 -55.6 8.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.95 -52.41 65.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.472 HD12 ' CD2' ' A' ' 50' ' ' LEU . 2.0 tt -76.28 -49.78 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 mt -67.36 -65.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -43.66 -40.61 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.21 -57.91 8.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -50.6 -53.99 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -54.64 -26.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -76.98 -19.35 57.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.498 HD12 ' CE1' ' A' ' 18' ' ' PHE . 5.2 mt -95.52 -47.2 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -106.27 163.54 12.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -63.35 -52.55 61.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.27 161.57 9.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.12 3.84 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 69.49 39.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -67.34 127.0 31.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -149.73 137.75 20.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -130.13 96.96 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.22 81.11 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -80.75 128.21 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -144.98 119.62 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.7 74.76 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -139.26 148.7 43.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 10' ' ' GLU . 35.0 ptt-85 -84.21 176.77 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 9' ' ' ARG . 49.3 mt-10 32.01 54.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.08 157.0 16.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -99.66 143.07 30.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.6 tp-100 -87.06 132.01 33.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -90.83 144.61 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.412 HD12 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -50.36 -50.35 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -41.0 -70.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 -61.49 -38.84 88.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.567 ' CE2' HD13 ' A' ' 42' ' ' LEU . 2.5 t80 -57.41 -28.56 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 86.5 mt -87.55 -39.82 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.92 -37.41 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -68.71 -41.33 79.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.431 ' CG1' ' HA ' ' A' ' 19' ' ' LEU . 16.4 pt -89.57 4.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 57.74 44.22 20.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.424 ' CD1' HD13 ' A' ' 22' ' ' ILE . 26.7 mt -127.69 18.54 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -59.28 -10.91 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.9 -16.38 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.483 ' CE2' HG12 ' A' ' 55' ' ' ILE . 85.2 m-85 -99.6 -4.56 30.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.2 m -42.55 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.163 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 24.5 p -40.14 -47.79 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.432 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 54.0 m -57.02 -38.57 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 28' ' ' THR . 9.9 mt -75.7 -49.06 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 52.0 mt -60.36 -59.9 4.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.6 mp -45.96 -40.82 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -68.28 -35.77 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 -34.66 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -57.61 106.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.412 ' C ' HD12 ' A' ' 15' ' ' ILE . 28.2 mt-10 -105.18 -42.09 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.4 p -134.23 165.65 24.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 13' ' ' GLN . 7.7 mt -43.92 -44.57 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -40.15 -36.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.73 -39.91 35.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.567 HD13 ' CE2' ' A' ' 18' ' ' PHE . 77.8 mt -60.16 -34.54 73.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' CA ' HD13 ' A' ' 72' ' ' LEU . 7.9 ptmt -51.75 -16.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -102.81 -18.94 14.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.802 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.7 tt -63.9 141.05 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.97 172.33 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -48.53 -43.5 35.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.5 p -63.09 -55.59 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -40.17 -55.51 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD13 ' CB ' ' A' ' 61' ' ' ARG . 41.2 mt -49.23 -51.11 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.1 mt -48.71 -55.09 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -59.44 -21.26 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.15 26.09 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 67.62 25.05 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.483 HG12 ' CE2' ' A' ' 27' ' ' TYR . 7.0 mt -108.59 27.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.46 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 14.6 m-20 -74.04 131.98 80.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.7 8.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.11 -41.21 48.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.462 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.2 m-20 -80.9 -47.46 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.471 ' CB ' HD13 ' A' ' 50' ' ' LEU . 64.1 mtm-85 -52.18 -56.88 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.94 50.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -56.89 -30.45 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.1 tt -79.18 -38.08 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.3 mt -76.1 -64.08 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -45.75 -35.71 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.47 -58.12 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.39 -36.62 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 73' ' ' SER . 3.9 mm-40 -62.7 -46.34 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 t -62.11 -45.9 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.441 HD11 ' CE1' ' A' ' 18' ' ' PHE . 8.6 mt -64.0 -55.35 23.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.457 HD13 ' CA ' ' A' ' 43' ' ' LYS . 6.6 mt -73.58 -61.01 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.8 t -79.04 47.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.64 145.38 14.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 162.7 41.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.33 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -83.45 112.75 20.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -105.65 -57.73 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.5 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 t -68.4 -45.34 72.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.356 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 t -147.84 158.95 44.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.08 -154.94 2.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -161.56 175.35 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -77.1 105.38 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.63 162.66 22.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -171.12 159.1 5.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.32 15.83 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.06 158.05 20.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -57.48 -179.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -135.73 152.48 51.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.473 ' HB3' ' CD2' ' A' ' 39' ' ' LEU . 8.7 tp-100 -111.82 147.32 35.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.5 t -100.88 148.72 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.407 HG22 ' CD1' ' A' ' 19' ' ' LEU . 1.5 mp -63.72 -38.23 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.567 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 1.1 mp0 -53.33 -56.15 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -73.31 -34.29 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.525 ' CE1' HD11 ' A' ' 71' ' ' LEU . 3.0 t80 -63.49 -29.09 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD12 ' CD1' ' A' ' 31' ' ' LEU . 91.5 mt -86.78 -43.56 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.91 -36.79 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 9.4 ptp180 -67.82 -43.48 79.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.428 ' N ' ' CG ' ' A' ' 21' ' ' ARG . 6.5 pt -88.1 2.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 59.77 42.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.8 mt -125.75 23.09 7.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -14.2 32.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.513 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.4 pt-20 -67.42 -10.69 53.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.513 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.4 m-85 -107.5 -1.51 21.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.419 HG21 ' CD1' ' A' ' 32' ' ' LEU . 89.9 m -45.44 -70.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 p -42.83 -50.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 24.6 m -53.42 -32.88 51.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.424 ' CD1' HD12 ' A' ' 19' ' ' LEU . 9.9 mt -82.41 -49.27 10.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.419 ' CD1' HG21 ' A' ' 28' ' ' THR . 30.2 mt -60.75 -60.6 3.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.07 -34.64 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -74.74 -33.22 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.52 -20.61 2.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.406 ' CE1' ' HB ' ' A' ' 45' ' ' ILE . 99.1 m-85 -71.96 95.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -94.73 -43.95 8.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' LEU . 73.1 p -134.43 157.06 47.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' CD2' ' HB3' ' A' ' 13' ' ' GLN . 10.8 mp -36.46 -41.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 10.1 t70 -38.11 -47.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.25 -36.27 63.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.483 ' O ' ' CG2' ' A' ' 45' ' ' ILE . 28.8 mt -57.9 -29.37 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 7.8 ptmt -59.41 -11.05 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -108.36 -11.46 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.483 ' CG2' ' O ' ' A' ' 42' ' ' LEU . 7.7 tt -75.15 148.5 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -131.43 -177.35 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -61.35 -49.39 77.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.9 p -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -51.21 -56.21 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.465 ' CD2' HD12 ' A' ' 64' ' ' LEU . 29.6 mt -50.35 -48.47 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.406 HG12 ' NH1' ' A' ' 61' ' ' ARG . 77.5 mt -53.48 -47.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.0 -23.32 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' CD2' ' OD1' ' A' ' 34' ' ' ASN . 95.5 mt -83.82 17.6 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 t30 74.97 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' A' ' 57' ' ' ASP . 14.1 mt -105.69 29.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.66 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -73.89 127.62 87.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -36.41 10.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -47.69 -38.68 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 6.5 m-20 -82.72 -47.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.464 ' CB ' HD11 ' A' ' 50' ' ' LEU . 75.7 mtm-85 -52.75 -55.11 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.15 61.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.051 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -56.56 -28.65 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.465 HD12 ' CD2' ' A' ' 50' ' ' LEU . 2.1 tt -80.29 -46.91 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -68.29 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -45.56 -41.98 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.21 38.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -53.73 -46.98 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 73' ' ' SER . 79.5 mt-10 -48.35 -52.62 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -55.1 -44.75 75.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.525 HD11 ' CE1' ' A' ' 18' ' ' PHE . 7.3 mt -64.66 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.99 -66.49 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' GLU . 2.6 t -76.95 80.03 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.36 85.93 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 171.93 13.56 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 t -118.73 102.65 8.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -82.17 -49.94 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -102.16 122.28 43.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -157.42 162.56 39.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.7 -111.31 0.4 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -113.49 -51.08 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -55.04 166.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.34 134.21 26.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -96.58 44.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.24 156.25 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -118.79 145.93 45.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -69.6 176.31 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -124.31 139.95 53.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -102.46 133.07 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -88.59 139.23 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.445 HG21 ' CD1' ' A' ' 19' ' ' LEU . 1.5 mp -52.29 -55.28 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' ILE . 23.4 mp0 -35.84 -61.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -67.81 -49.68 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.57 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.4 t80 -47.2 -28.55 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 93.8 mt -86.32 -37.87 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 36.7 mm-40 -54.34 -32.05 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -74.02 -33.43 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.473 ' CG1' ' HA ' ' A' ' 19' ' ' LEU . 6.9 pt -96.82 7.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 52.5 39.89 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.2 mt -123.07 18.11 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' NE2' ' CD ' ' A' ' 20' ' ' GLU . 12.4 pt20 -57.63 -13.13 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.68 -11.23 24.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.67 -1.87 16.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.403 ' O ' ' N ' ' A' ' 31' ' ' LEU . 87.9 m -45.07 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.8 p -42.98 -50.66 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 15.4 m -54.58 -31.44 56.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' CD1' HD13 ' A' ' 19' ' ' LEU . 11.5 mt -82.69 -51.24 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 mt -59.22 -58.16 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -47.31 -32.62 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -77.88 -28.36 49.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.64 -26.89 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -61.46 89.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.416 ' C ' HD11 ' A' ' 15' ' ' ILE . 35.2 mt-10 -91.8 -41.53 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -134.07 161.17 35.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.472 ' CD1' HD13 ' A' ' 71' ' ' LEU . 1.6 mm? -46.95 -39.87 13.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 5.8 m-20 -39.45 -33.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.84 -40.05 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 39' ' ' LEU . 78.9 mt -57.22 -31.18 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt -50.23 -18.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -116.31 32.4 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 5.1 tt -107.47 134.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -114.49 157.66 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.2 -44.91 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.9 p -56.02 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -38.36 -52.73 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 55' ' ' ILE . 42.4 mt -53.41 -50.17 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.415 HG12 ' NH1' ' A' ' 61' ' ' ARG . 72.8 mt -50.47 -53.38 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.73 -23.57 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 84.8 mt -83.86 17.9 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 74.73 25.05 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.481 ' O ' ' N ' ' A' ' 57' ' ' ASP . 10.4 mt -107.02 29.45 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.83 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.6 m-20 -73.91 129.63 84.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.45 6.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.49 -38.85 14.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.475 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.8 m-20 -82.24 -47.14 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.459 ' HA ' ' CD1' ' A' ' 50' ' ' LEU . 75.2 mtm-85 -51.52 -54.0 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -52.0 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -57.25 -28.57 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 50' ' ' LEU . 2.2 tt -80.83 -46.44 15.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.6 mt -70.42 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -45.92 -44.88 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.2 -54.87 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.57 -38.31 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.32 -39.06 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.57 HD11 ' CD1' ' A' ' 18' ' ' PHE . 17.5 mt -63.41 -60.05 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' SER . 29.4 mt -56.48 -61.61 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' LEU . 82.9 p 36.61 47.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.44 -95.44 0.72 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 120.78 7.51 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.643 2.228 . . . . 0.0 112.385 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.0 t -101.1 34.8 2.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 m -61.35 152.76 28.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.776 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -94.35 154.27 17.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.504 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -62.52 -41.41 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -53.64 -42.88 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.776 ' H ' HG23 ' A' ' 14' ' ' THR . 48.4 mt-10 -84.24 -34.04 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.754 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.6 t80 -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 31' ' ' LEU . 93.8 mt -87.57 -39.61 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.52 ' OE2' ' NE2' ' A' ' 25' ' ' GLN . 39.6 mm-40 -53.58 -37.06 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -65.48 -37.3 86.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.012 HD12 HD12 ' A' ' 24' ' ' LEU . 6.9 pt -98.04 8.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 53.65 40.36 31.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 22' ' ' ILE . 33.5 mt -120.48 17.59 12.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.52 ' NE2' ' OE2' ' A' ' 20' ' ' GLU . 13.4 pt20 -58.1 -13.5 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 10.2 pt-20 -65.41 -14.62 61.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.445 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 88.4 m-85 -104.29 0.61 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' LEU . 88.1 m -46.06 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' HD13 ' A' ' 33' ' ' LEU . 13.6 p -39.54 -51.14 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 18.4 m -54.21 -38.93 66.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.7 mt -75.75 -54.67 6.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 36' ' ' TYR . 25.5 mt -54.15 -57.95 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 29' ' ' SER . 7.9 mp -48.88 -44.84 40.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.4 m-80 -63.49 -26.24 68.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.55 -27.51 3.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.547 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.9 m-85 -63.68 92.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.504 ' C ' HD13 ' A' ' 15' ' ' ILE . 17.8 mt-10 -93.59 -42.4 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -134.16 162.68 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.786 HD11 HD13 ' A' ' 71' ' ' LEU . 6.7 mt -41.89 -40.79 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -40.85 -42.53 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 5.2 m-20 -75.46 -36.32 60.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.027 ' O ' HG22 ' A' ' 45' ' ' ILE . 22.4 mt -62.45 -29.17 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -59.0 -11.86 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -108.79 -13.23 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.027 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -69.4 147.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -131.22 -179.5 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -57.58 -48.08 80.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -57.98 -50.08 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -44.4 -56.16 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.013 HD22 HD13 ' A' ' 64' ' ' LEU . 28.2 mt -48.37 -48.6 36.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 61.6 mt -53.38 -46.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.24 -21.4 63.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 96.3 mt -87.37 21.12 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 t30 74.69 25.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 50' ' ' LEU . 9.3 mt -110.82 30.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.416 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.4 -22.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.2 m-20 -75.13 133.18 75.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -38.99 6.98 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.91 -44.94 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.486 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.2 m-20 -75.94 -48.82 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.959 ' HA ' HD13 ' A' ' 50' ' ' LEU . 64.2 mtm-85 -50.25 -58.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.81 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -57.04 -28.52 62.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.013 HD13 HD22 ' A' ' 50' ' ' LEU . 2.2 tt -79.93 -46.09 17.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.7 mt -70.6 -60.5 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.5 t -47.03 -40.16 14.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.73 61.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.715 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.08 -42.18 85.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.08 -45.95 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -60.09 -42.99 95.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.786 HD13 HD11 ' A' ' 39' ' ' LEU . 6.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.493 ' HB3' HD12 ' A' ' 39' ' ' LEU . 3.0 tp-100 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.433 ' OG1' ' NE2' ' A' ' 16' ' ' GLN . 11.2 t -99.09 149.63 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.493 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -53.58 -49.68 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.433 ' NE2' ' OG1' ' A' ' 14' ' ' THR . 0.4 OUTLIER -40.68 -68.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' H ' HG23 ' A' ' 14' ' ' THR . 69.2 mm-40 -64.42 -40.97 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.7 t80 -55.18 -24.85 28.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.724 HD23 HD11 ' A' ' 22' ' ' ILE . 90.0 mt -92.68 -39.29 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.87 -29.26 11.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -73.81 -34.83 64.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.95 HD12 HD12 ' A' ' 24' ' ' LEU . 4.3 pt -98.92 12.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 49.55 39.8 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.95 HD12 HD12 ' A' ' 22' ' ' ILE . 36.2 mt -119.71 13.32 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -53.75 -16.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.01 -17.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.594 ' CE2' ' OD2' ' A' ' 60' ' ' ASP . 96.4 m-85 -100.91 -9.38 21.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.8 m -38.57 -72.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 p -39.91 -50.52 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.536 HG21 ' O ' ' A' ' 53' ' ' LEU . 42.3 m -54.8 -37.03 65.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.04 -45.32 27.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 36' ' ' TYR . 85.4 mt -63.92 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.66 -35.59 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -73.1 -32.63 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 142.51 -33.15 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.622 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.9 m-85 -58.7 96.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' C ' HD13 ' A' ' 15' ' ' ILE . 75.8 mt-10 -94.78 -44.62 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -133.73 166.15 23.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.845 HD11 HD13 ' A' ' 71' ' ' LEU . 7.5 mt -45.93 -41.75 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -41.64 -33.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.42 -33.34 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.952 ' O ' HG22 ' A' ' 45' ' ' ILE . 24.7 mt -64.86 -21.16 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -63.91 -10.39 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.99 -4.88 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.952 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.3 tt -77.74 145.12 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 176.59 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.2 -42.09 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 51' ' ' ILE . 55.3 p -62.56 -50.5 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.422 ' CB ' HG13 ' A' ' 45' ' ' ILE . 61.1 m80 -44.35 -53.95 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.98 HD13 ' HA ' ' A' ' 61' ' ' ARG . 21.4 mt -49.67 -47.98 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 48' ' ' SER . 70.0 mt -52.41 -53.46 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.25 -22.0 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.536 ' O ' HG21 ' A' ' 30' ' ' THR . 96.4 mt -86.28 19.17 2.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 m120 74.81 25.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 50' ' ' LEU . 9.4 mt -109.46 28.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.53 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.5 m-20 -77.28 132.22 70.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.87 28.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -53.0 -49.6 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 43.2 t0 -76.09 -46.47 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.98 ' HA ' HD13 ' A' ' 50' ' ' LEU . 66.0 mtm-85 -51.27 -59.63 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.88 -55.76 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 48.8 mtt-85 -56.05 -36.19 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.871 HD13 HD22 ' A' ' 50' ' ' LEU . 1.3 tt -72.82 -35.7 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.65 -60.75 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.412 ' HA ' ' CD ' ' A' ' 69' ' ' GLU . 17.9 m -57.43 -18.84 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -84.44 -55.4 4.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -62.79 -31.54 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 70' ' ' SER . 9.6 pt-20 -67.02 -48.06 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.476 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 t -57.17 -36.86 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 39' ' ' LEU . 9.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 2.4 tp-100 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 t -97.68 136.99 37.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.8 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -44.69 -51.93 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.498 ' CD ' HG21 ' A' ' 28' ' ' THR . 29.9 mm-40 -37.94 -64.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.06 -47.26 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.737 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.0 t80 -47.7 -29.31 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 31' ' ' LEU . 95.3 mt -88.05 -43.92 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -48.57 -34.15 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.573 HH11 HG23 ' A' ' 22' ' ' ILE . 4.8 ptm180 -68.5 -43.25 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.573 HG23 HH11 ' A' ' 21' ' ' ARG . 15.1 pt -91.32 1.28 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 64.06 41.15 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD23 ' HB ' ' A' ' 22' ' ' ILE . 4.0 mm? -114.83 8.66 16.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -51.47 -22.48 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 13.9 pt-20 -61.08 -9.32 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.0 m-85 -112.46 -9.7 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.498 HG21 ' CD ' ' A' ' 16' ' ' GLN . 78.8 m -36.99 -71.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -44.74 -47.06 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 19.6 m -58.26 -30.21 66.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -83.5 -51.55 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 36' ' ' TYR . 55.0 mt -57.76 -59.04 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -46.13 -37.91 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.6 m-80 -72.42 -28.35 62.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.18 -34.35 2.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.444 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.632 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.3 m-85 -56.06 93.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.552 ' C ' HD13 ' A' ' 15' ' ' ILE . 22.8 mt-10 -94.58 -42.07 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.4 p -134.11 166.42 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.769 HD11 HD13 ' A' ' 71' ' ' LEU . 3.8 mt -44.94 -41.89 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -41.09 -36.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 2.8 m-20 -78.49 -37.45 43.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 HG13 ' A' ' 15' ' ' ILE . 39.6 mt -67.59 -24.3 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -58.0 -21.1 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.23 32.93 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.9 tt -104.84 135.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 159.54 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.6 -43.54 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 51' ' ' ILE . 66.4 p -56.57 -52.84 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -41.26 -55.76 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.053 HD22 HD13 ' A' ' 64' ' ' LEU . 17.8 mt -48.84 -45.56 40.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 48' ' ' SER . 76.4 mt -54.6 -50.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.71 -21.65 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 94.4 mt -85.16 18.68 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 75.01 25.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 55' ' ' ILE . 11.9 mt -109.09 29.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -75.88 131.88 75.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.21 8.17 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -48.07 -40.31 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.7 m-20 -80.81 -47.62 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.942 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.1 mtm-85 -51.3 -52.35 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.64 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -58.99 -29.76 67.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.053 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -78.76 -42.9 26.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.711 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.4 mt -75.06 -63.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -23.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.56 -55.46 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.03 -31.65 42.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -47.1 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -57.36 -39.47 76.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 39' ' ' LEU . 11.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 18' ' ' PHE . 5.6 tp-100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 t -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.535 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -38.08 -55.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.465 ' OE1' HD21 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -36.81 -63.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.3 -44.61 82.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.485 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.7 t80 -52.93 -24.93 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.59 HD23 HD11 ' A' ' 22' ' ' ILE . 96.0 mt -89.69 -38.99 13.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.51 -28.35 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.67 -41.86 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.692 ' HB ' HD23 ' A' ' 24' ' ' LEU . 12.0 pt -92.9 1.14 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 62.41 37.68 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.692 HD23 ' HB ' ' A' ' 22' ' ' ILE . 1.7 mm? -112.36 15.84 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.1 -14.29 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.63 -16.59 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.624 ' CE2' HD12 ' A' ' 24' ' ' LEU . 74.7 m-85 -103.44 -3.5 25.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.2 m -42.06 -73.24 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -42.51 -48.53 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 53' ' ' LEU . 15.0 m -55.07 -39.15 68.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -75.23 -48.1 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD21 ' OE1' ' A' ' 16' ' ' GLN . 53.3 mt -61.21 -62.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -44.7 -41.95 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -65.57 -37.46 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.1 -28.83 1.68 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 94.6 m-85 -64.37 96.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' C ' HD13 ' A' ' 15' ' ' ILE . 42.7 mt-10 -97.87 -39.87 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 p -134.23 163.73 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 71' ' ' LEU . 5.8 mt -43.4 -41.35 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 4.1 m-20 -41.02 -40.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.472 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -76.1 -39.67 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.799 ' O ' HG22 ' A' ' 45' ' ' ILE . 45.7 mt -57.92 -21.58 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 8.0 ptmt -65.42 -11.04 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -110.46 -5.56 15.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.7 tt -79.78 142.89 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -131.57 177.29 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -53.09 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -60.32 -51.96 67.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -43.54 -56.43 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.961 HD13 ' HA ' ' A' ' 61' ' ' ARG . 19.7 mt -47.03 -46.48 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.97 -50.43 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.42 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.503 ' O ' HG21 ' A' ' 30' ' ' THR . 95.6 mt -86.91 19.46 3.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 74.82 25.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 50' ' ' LEU . 12.1 mt -109.71 29.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -42.26 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m-20 -76.0 132.0 74.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.52 6.44 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -47.68 -40.12 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.484 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.6 m-20 -81.31 -47.65 13.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.961 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.5 mtm-85 -52.66 -56.81 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.8 -53.25 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.49 -33.52 66.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.934 HD13 HD22 ' A' ' 50' ' ' LEU . 1.7 tt -73.41 -56.08 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.484 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.3 mt -57.72 -59.73 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 t -45.9 -45.46 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.47 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.43 -49.38 77.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -48.93 -54.6 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -49.14 -41.53 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 39' ' ' LEU . 6.8 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' HD23 ' A' ' 39' ' ' LEU . 3.5 tp-100 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.876 0.369 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.588 HG23 ' H ' ' A' ' 17' ' ' GLU . 15.0 t -98.39 149.99 22.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.906 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -58.09 -48.68 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.618 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 2.0 mp0 -43.46 -62.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.588 ' H ' HG23 ' A' ' 14' ' ' THR . 35.9 mt-10 -67.75 -41.0 84.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.3 t80 -55.14 -30.99 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.649 HD11 ' CD1' ' A' ' 31' ' ' LEU . 94.0 mt -85.69 -43.42 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -47.62 -35.06 8.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -65.02 -39.65 93.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.644 ' O ' HD22 ' A' ' 24' ' ' LEU . 5.9 pt -96.49 5.73 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 63.63 34.69 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 22' ' ' ILE . 1.6 mm? -112.63 21.5 15.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -63.9 -7.52 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -75.37 -16.42 60.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CE2' HD12 ' A' ' 24' ' ' LEU . 69.5 m-85 -100.6 -4.42 28.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.7 m -44.13 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -40.27 -49.33 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.583 HG21 ' O ' ' A' ' 53' ' ' LEU . 13.4 m -56.38 -35.32 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.649 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.2 mt -78.65 -51.23 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 36' ' ' TYR . 31.7 mt -58.82 -56.92 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.55 -33.81 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -77.52 -27.88 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.83 -36.35 1.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.49 ' O ' HD23 ' A' ' 32' ' ' LEU . 99.5 m-85 -55.47 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.495 ' C ' HD13 ' A' ' 15' ' ' ILE . 18.8 mt-10 -89.03 -44.81 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.488 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 82.0 p -134.32 168.51 18.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 71' ' ' LEU . 1.4 mm? -45.44 -43.81 11.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 1.9 m-20 -40.53 -33.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.43 -44.02 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.016 ' O ' HG22 ' A' ' 45' ' ' ILE . 35.1 mt -57.01 -22.46 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 9.3 ptmt -60.56 -10.46 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -113.79 -8.42 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.016 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.7 tt -74.47 147.1 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -131.49 178.35 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.54 -46.08 77.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -58.51 -52.24 66.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.401 ' CB ' HG13 ' A' ' 45' ' ' ILE . 55.0 m80 -41.99 -54.1 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.951 HD22 HD13 ' A' ' 64' ' ' LEU . 12.1 mt -49.89 -46.31 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.7 mt -54.61 -46.3 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.0 -20.14 62.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.583 ' O ' HG21 ' A' ' 30' ' ' THR . 95.8 mt -88.77 20.5 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 53' ' ' LEU . 1.4 m120 73.27 27.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 55' ' ' ILE . 14.7 mt -110.91 28.59 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -40.6 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.9 OUTLIER -74.75 131.76 78.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -40.82 4.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.74 2.294 . . . . 0.0 112.322 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -46.97 -39.73 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.488 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.5 m-20 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.921 ' HA ' HD13 ' A' ' 50' ' ' LEU . 66.1 mtm-85 -52.84 -57.17 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.23 -53.34 58.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -56.37 -36.16 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.951 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -70.95 -50.03 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.6 mt -67.95 -68.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' LEU . 31.0 t -38.24 -38.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -53.15 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -54.54 -50.53 67.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.34 -36.5 43.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -66.82 -42.74 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.733 ' CD1' HD11 ' A' ' 39' ' ' LEU . 4.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 6.3 tp-100 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.877 0.37 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.0 t -97.01 125.66 41.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.628 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -34.03 -58.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.508 ' N ' HG22 ' A' ' 15' ' ' ILE . 7.4 mt-30 -34.52 -55.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.51 -47.66 46.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.1 t80 -51.33 -25.14 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.697 HD23 HD11 ' A' ' 22' ' ' ILE . 88.5 mt -85.51 -36.43 20.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.88 -33.12 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.425 ' CZ ' ' CB ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -72.72 -38.55 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.867 HD12 HD12 ' A' ' 24' ' ' LEU . 5.3 pt -93.77 7.87 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 53.66 35.72 21.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 22' ' ' ILE . 56.2 mt -118.1 19.95 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 16.7 pt20 -61.21 -11.76 10.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 17.9 pt-20 -65.93 -15.02 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.9 m-85 -105.09 4.54 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' LEU . 85.0 m -47.92 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 p -39.62 -51.1 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.714 HG21 ' O ' ' A' ' 53' ' ' LEU . 64.8 m -53.38 -37.18 62.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.8 mt -77.98 -51.49 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -55.9 -61.9 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mp -46.72 -39.83 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -68.1 -30.3 69.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 -33.46 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -56.24 91.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -90.83 -45.68 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.8 p -134.12 162.96 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.713 ' CD1' HD13 ' A' ' 71' ' ' LEU . 33.3 mt -40.51 -43.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' LEU . 43.2 m-20 -36.86 -41.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.46 -40.59 57.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 45' ' ' ILE . 60.5 mt -61.65 -29.64 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -54.77 -17.47 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -118.7 31.81 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -102.99 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -128.19 151.16 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -38.25 -40.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -58.91 -48.07 82.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -48.04 -53.15 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.967 ' CD2' HD13 ' A' ' 64' ' ' LEU . 14.7 mt -50.54 -44.69 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -54.13 -53.22 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.94 -23.34 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.714 ' O ' HG21 ' A' ' 30' ' ' THR . 87.2 mt -83.43 17.1 2.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 75.0 25.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -108.42 29.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.47 -24.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -75.21 132.68 76.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.76 7.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.39 -43.87 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.48 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 12.0 m-20 -77.38 -48.36 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.882 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.6 mtm-85 -49.2 -57.3 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.61 -53.08 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' HB2' HD11 ' A' ' 24' ' ' LEU . 43.3 mtt180 -56.53 -31.24 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.967 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.2 tt -78.09 -42.76 31.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.708 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.6 mt -74.55 -61.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 m -46.39 -39.44 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.33 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.696 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -54.17 -32.59 55.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -57.35 -40.34 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 39' ' ' LEU . 9.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.1 tp-100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.8 t -102.08 130.86 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.53 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -36.24 -54.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.6 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 1.6 mp0 -38.2 -65.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.18 -42.07 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.618 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.9 t80 -55.75 -25.16 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.714 HD23 HD11 ' A' ' 22' ' ' ILE . 98.2 mt -90.43 -38.17 13.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -53.23 -34.22 56.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -70.0 -41.69 74.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 24' ' ' LEU . 5.6 pt -90.03 4.35 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 60.3 32.82 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.989 HD12 HD12 ' A' ' 22' ' ' ILE . 60.4 mt -116.83 25.54 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -15.37 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 11.1 pt-20 -66.54 -9.92 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.0 m-85 -107.44 -1.73 21.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' LEU . 89.8 m -44.69 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -39.42 -49.44 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 53' ' ' LEU . 55.4 m -55.93 -36.62 67.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.56 -48.07 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 36' ' ' TYR . 73.6 mt -60.16 -60.96 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mp -45.89 -42.41 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -65.32 -33.47 76.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.85 -30.17 2.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.565 ' O ' HD23 ' A' ' 32' ' ' LEU . 93.9 m-85 -62.99 97.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.53 ' C ' HD13 ' A' ' 15' ' ' ILE . 22.9 mt-10 -97.06 -43.16 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -134.16 167.18 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.809 HD11 HD13 ' A' ' 71' ' ' LEU . 6.3 mt -45.61 -39.82 8.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -41.49 -35.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 5.8 m-20 -81.85 -38.84 24.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.694 ' O ' HG22 ' A' ' 45' ' ' ILE . 65.8 mt -61.21 -34.39 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -53.16 -15.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.37 29.0 8.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.7 tt -102.72 146.42 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -127.64 156.51 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -40.85 -42.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.432 ' HA ' HD12 ' A' ' 51' ' ' ILE . 6.1 m -59.47 -55.2 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -39.36 -54.77 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.904 HD22 HD13 ' A' ' 64' ' ' LEU . 70.4 mt -50.82 -53.22 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 48' ' ' SER . 77.5 mt -45.13 -54.29 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.13 -21.74 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.578 ' O ' HG21 ' A' ' 30' ' ' THR . 95.3 mt -85.76 20.11 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 74.95 25.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.0 mt -111.64 30.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.12 -22.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -75.8 136.53 70.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -43.96 2.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.758 2.305 . . . . 0.0 112.33 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -48.67 -42.18 33.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 31.0 m-20 -74.88 -47.61 29.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.886 ' HA ' HD13 ' A' ' 50' ' ' LEU . 76.4 mtm-85 -58.5 -63.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.19 -57.23 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -49.14 -30.46 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.904 HD13 HD22 ' A' ' 50' ' ' LEU . 1.6 tt -78.54 -46.12 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 8.0 mp -58.43 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -41.99 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.86 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.67 -38.9 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.26 -50.64 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -52.95 -44.56 67.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.809 HD13 HD11 ' A' ' 39' ' ' LEU . 7.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.434 ' O ' HD23 ' A' ' 39' ' ' LEU . 2.8 tp-100 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -98.43 145.5 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.568 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -52.01 -48.56 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.531 ' NE2' HG21 ' A' ' 28' ' ' THR . 31.9 mm-40 -39.99 -69.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' H ' HG23 ' A' ' 14' ' ' THR . 80.8 mm-40 -65.35 -42.1 93.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 1.9 t80 -52.3 -24.03 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.575 HD11 ' CD1' ' A' ' 31' ' ' LEU . 92.9 mt -92.65 -40.1 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.72 -29.06 17.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -72.12 -40.17 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HB ' HD23 ' A' ' 24' ' ' LEU . 11.5 pt -95.93 3.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 62.79 40.56 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.543 HD23 ' HB ' ' A' ' 22' ' ' ILE . 3.8 mm? -118.12 13.65 13.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -58.49 -14.18 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.45 -9.87 55.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.462 ' CE2' HD12 ' A' ' 24' ' ' LEU . 97.6 m-85 -107.43 -5.84 17.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.531 HG21 ' NE2' ' A' ' 16' ' ' GLN . 89.5 m -39.63 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 p -39.41 -49.31 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 23.1 m -56.33 -36.77 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.46 -51.07 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 36' ' ' TYR . 45.7 mt -57.77 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -46.2 -35.15 4.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -74.18 -28.77 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 138.22 -32.98 2.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.507 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.6 m-85 -58.51 101.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' C ' HD13 ' A' ' 15' ' ' ILE . 14.0 mt-10 -100.17 -45.29 5.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -134.3 163.75 28.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 71' ' ' LEU . 1.4 mm? -41.21 -39.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.27 -41.87 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 10.5 m-20 -73.18 -42.98 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' HG22 ' A' ' 45' ' ' ILE . 66.8 mt -58.57 -18.89 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -58.95 -19.34 42.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.97 29.17 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.901 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.3 tt -103.31 133.5 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -119.0 169.64 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.18 -44.47 43.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 m -57.32 -51.24 70.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -42.82 -54.12 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.138 HD22 HD13 ' A' ' 64' ' ' LEU . 25.6 mt -52.1 -47.72 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.417 HG12 ' NH1' ' A' ' 61' ' ' ARG . 56.2 mt -49.59 -55.59 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.07 -21.15 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 30' ' ' THR . 91.7 mt -84.93 19.85 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m120 71.78 24.93 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 57' ' ' ASP . 9.8 mt -107.81 28.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.59 -26.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.1 m-20 -73.97 130.64 82.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.615 0.722 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.93 5.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -46.63 -35.95 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 18.4 m-20 -86.42 -46.43 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.955 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.7 mtm-85 -54.2 -55.32 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.0 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -56.59 -38.34 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.138 HD13 HD22 ' A' ' 50' ' ' LEU . 2.4 tt -69.32 -37.45 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.3 mt -76.18 -63.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.6 t -47.03 -20.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.7 -54.01 4.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.562 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.3 pt-20 -64.57 -47.43 78.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.1 t -58.84 -43.76 90.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.646 ' CD1' HD11 ' A' ' 39' ' ' LEU . 3.1 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.7 tp-100 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 t -85.64 128.11 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.518 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -37.94 -59.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.5 ' N ' HG22 ' A' ' 15' ' ' ILE . 8.1 mt-30 -34.11 -62.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.722 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.5 t80 -53.69 -28.37 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 31' ' ' LEU . 65.9 mt -84.78 -45.63 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.523 ' NH1' HD21 ' A' ' 71' ' ' LEU . 6.8 ptm180 -66.87 -46.22 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.638 HD12 HD23 ' A' ' 24' ' ' LEU . 15.3 pt -88.09 0.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 63.74 36.92 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.638 HD23 HD12 ' A' ' 22' ' ' ILE . 2.1 mm? -113.87 20.7 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -61.01 -13.47 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.4 -17.0 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.604 ' CE2' HD12 ' A' ' 24' ' ' LEU . 71.5 m-85 -102.46 -7.07 22.24 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 32' ' ' LEU . 44.0 m -37.79 -73.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -42.79 -48.65 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 63.9 m -55.64 -38.71 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -75.37 -52.87 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 28' ' ' THR . 35.4 mt -56.91 -57.43 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 mt -47.77 -48.38 30.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.0 m-80 -60.49 -34.11 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.05 -30.34 1.91 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 97.6 m-85 -59.59 91.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' C ' HD13 ' A' ' 15' ' ' ILE . 16.0 mt-10 -90.69 -44.15 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 80.8 p -134.11 168.94 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.948 HD11 HD13 ' A' ' 71' ' ' LEU . 9.0 mt -45.95 -42.23 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -42.47 -33.56 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 4.9 m-20 -79.22 -37.74 37.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.727 ' O ' HG22 ' A' ' 45' ' ' ILE . 88.6 mt -67.95 -30.55 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -50.53 -23.53 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.04 32.68 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -101.76 145.46 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' GLU . 15.5 mmtp -126.25 150.28 48.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' LYS . 34.3 tt0 -37.84 -37.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -63.68 -49.93 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -44.32 -52.91 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.101 HD22 HD13 ' A' ' 64' ' ' LEU . 34.8 mt -50.46 -49.27 55.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.05 -53.43 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -63.05 -21.88 66.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 86.7 mt -84.02 17.88 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m120 75.0 25.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 55' ' ' ILE . 14.9 mt -108.8 30.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.74 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.7 m-20 -75.63 130.19 79.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.14 2.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.1 -30.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.493 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 20.4 m-20 -90.99 -43.53 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.967 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.8 mtm-85 -56.67 -50.88 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 31.9 mtt180 -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.101 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -70.27 -45.71 65.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.627 ' HG ' HD11 ' A' ' 50' ' ' LEU . 6.2 mt -71.38 -59.92 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -52.92 -18.61 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -87.84 -56.55 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.69 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.45 -32.83 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' SER . 15.0 pt-20 -65.57 -48.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.55 -38.88 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.948 HD13 HD11 ' A' ' 39' ' ' LEU . 15.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 14' ' ' THR . 1.9 tp-100 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.1 t -101.86 124.57 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.59 HG13 HD11 ' A' ' 42' ' ' LEU . 1.2 mp -35.65 -48.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.69 -46.82 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.565 ' H ' HG23 ' A' ' 14' ' ' THR . 34.7 mt-10 -80.69 -41.52 23.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.65 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.1 t80 -58.31 -23.66 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.752 HD11 ' CD1' ' A' ' 31' ' ' LEU . 63.9 mt -87.78 -45.83 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -48.08 -36.8 13.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -62.88 -39.45 94.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.698 HD12 HD23 ' A' ' 24' ' ' LEU . 13.2 pt -95.9 2.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 63.83 36.82 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 HD12 ' A' ' 22' ' ' ILE . 2.0 mm? -114.01 17.56 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.427 ' N ' ' CD ' ' A' ' 25' ' ' GLN . 1.3 pm0 -57.27 -12.41 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.32 -14.99 63.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.612 ' CE2' HD12 ' A' ' 24' ' ' LEU . 60.2 m-85 -104.53 -6.46 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -40.47 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -42.39 -50.13 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 53' ' ' LEU . 50.2 m -54.26 -38.92 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.752 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -74.81 -51.1 14.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 36' ' ' TYR . 42.2 mt -57.91 -58.71 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -46.95 -44.17 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -64.6 -36.14 83.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.57 -34.31 1.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 98.1 m-85 -56.13 96.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.459 ' C ' HD13 ' A' ' 15' ' ' ILE . 15.2 mt-10 -96.05 -46.83 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.412 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 72.7 p -129.58 167.38 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.621 HD11 HD13 ' A' ' 71' ' ' LEU . 8.3 mt -43.5 -43.92 5.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -41.17 -42.28 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 13.8 m-20 -69.51 -34.78 74.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.721 ' O ' HG22 ' A' ' 45' ' ' ILE . 57.6 mt -70.14 -22.22 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -59.05 -21.26 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.02 28.75 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.1 tt -99.23 144.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -128.52 154.44 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -39.75 -40.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -61.54 -51.51 68.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -42.81 -54.42 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.076 HD22 HD13 ' A' ' 64' ' ' LEU . 39.2 mt -49.35 -49.85 42.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.5 mt -51.85 -52.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.79 -21.06 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.589 ' O ' HG21 ' A' ' 30' ' ' THR . 89.5 mt -85.54 19.69 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 t30 73.6 25.02 2.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 57' ' ' ASP . 7.7 mt -109.47 29.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -38.56 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -74.0 129.68 84.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.15 3.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -44.51 -33.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.504 ' OD1' HD11 ' A' ' 24' ' ' LEU . 36.3 m-20 -88.5 -45.19 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.957 ' HA ' HD13 ' A' ' 50' ' ' LEU . 74.7 mtm-85 -53.61 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.07 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 39.1 mtt-85 -58.16 -35.96 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.076 HD13 HD22 ' A' ' 50' ' ' LEU . 2.4 tt -71.59 -39.83 70.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.66 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.3 mt -77.25 -63.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.5 m -50.1 -18.69 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -86.4 -55.05 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.698 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -60.4 -30.58 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 70' ' ' SER . 16.5 pt-20 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -57.36 -32.06 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 68' ' ' ALA . 12.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 14' ' ' THR . 3.4 tp-100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.896 0.379 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.466 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 4.4 t -97.56 135.94 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.579 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.3 mp -41.47 -46.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' CD ' HG21 ' A' ' 28' ' ' THR . 30.7 mm-40 -44.55 -69.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' H ' HG23 ' A' ' 14' ' ' THR . 53.8 mm-40 -61.6 -35.57 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.468 ' HD1' HD11 ' A' ' 71' ' ' LEU . 2.1 t80 -61.13 -30.74 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' CD1' ' A' ' 31' ' ' LEU . 75.5 mt -84.86 -40.13 17.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -48.92 -42.95 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.656 HH11 HG23 ' A' ' 22' ' ' ILE . 4.4 ptm180 -57.8 -40.45 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.079 HD12 HD12 ' A' ' 24' ' ' LEU . 10.3 pt -95.41 8.73 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 54.53 41.74 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.079 HD12 HD12 ' A' ' 22' ' ' ILE . 28.1 mt -117.42 20.04 13.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.45 -12.84 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.1 pt-20 -69.14 -21.18 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 94.8 m-85 -97.93 -5.34 34.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.406 HG21 ' CD ' ' A' ' 16' ' ' GLN . 26.8 m -42.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' HD13 ' A' ' 33' ' ' LEU . 63.9 p -41.65 -47.55 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.457 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 29.9 m -57.54 -39.45 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.761 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.7 mt -73.32 -47.7 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 36' ' ' TYR . 49.9 mt -62.94 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 29' ' ' SER . 10.1 mp -44.88 -35.58 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -74.12 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.49 -35.31 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.476 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.8 m-85 -55.58 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.936 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.579 ' C ' HD13 ' A' ' 15' ' ' ILE . 16.1 mt-10 -98.95 -43.52 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 76.2 p -131.21 167.18 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 71' ' ' LEU . 4.5 mt -48.44 -38.98 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.01 -28.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.23 -40.57 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.766 ' O ' HG22 ' A' ' 45' ' ' ILE . 62.3 mt -62.87 -27.38 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -55.87 -17.32 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -117.03 29.7 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.8 tt -104.05 144.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.65 158.67 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' CG ' ' HE ' ' A' ' 61' ' ' ARG . 45.2 tt0 -42.03 -43.46 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 51' ' ' ILE . 89.1 p -56.78 -54.81 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -40.6 -57.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.716 HD13 ' HA ' ' A' ' 61' ' ' ARG . 15.8 mt -49.53 -52.98 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG12 ' NH1' ' A' ' 61' ' ' ARG . 74.0 mt -46.73 -53.47 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.88 -22.63 67.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' HG21 ' A' ' 30' ' ' THR . 88.9 mt -84.48 19.01 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 74.92 24.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 50' ' ' LEU . 4.8 mt -110.36 31.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.184 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.69 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.1 t70 -73.98 133.24 79.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -48.06 -34.93 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -83.35 -45.98 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.716 ' HA ' HD13 ' A' ' 50' ' ' LEU . 71.2 mtm-85 -59.51 -58.99 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.9 -55.65 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 52.6 mtt-85 -53.69 -38.34 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.412 HD13 HD22 ' A' ' 50' ' ' LEU . 1.2 tt -67.87 -49.45 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.88 -60.37 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -52.75 -16.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -86.63 -52.99 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -63.37 -35.74 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.528 ' CG ' ' N ' ' A' ' 70' ' ' SER . 4.7 pt-20 -60.37 -50.22 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.4 t -55.89 -40.69 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 39' ' ' LEU . 6.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 14' ' ' THR . 2.8 tp-100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.493 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 10.1 t -98.46 132.56 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.562 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -37.21 -57.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.582 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 2.5 mp0 -34.92 -70.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' H ' HG23 ' A' ' 14' ' ' THR . 73.9 mm-40 -60.58 -42.01 95.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.2 t80 -54.43 -28.77 46.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 HD11 ' A' ' 22' ' ' ILE . 96.7 mt -86.01 -37.75 18.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.89 -33.04 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -68.74 -39.93 80.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.031 HD12 HD12 ' A' ' 24' ' ' LEU . 11.6 pt -94.42 7.88 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 54.69 35.36 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 22' ' ' ILE . 44.5 mt -115.06 16.89 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.13 -12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 12.0 pt-20 -67.48 -10.07 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 93.4 m-85 -108.85 0.63 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 32' ' ' LEU . 84.7 m -45.62 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -39.88 -49.46 2.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 53' ' ' LEU . 6.5 m -55.83 -38.69 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.586 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.4 mt -74.9 -48.07 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 36' ' ' TYR . 32.7 mt -62.13 -60.61 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -45.65 -37.23 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -71.54 -38.01 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 -32.15 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.48 ' O ' HD23 ' A' ' 32' ' ' LEU . 93.8 m-85 -60.48 97.72 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.367 . . . . 0.0 110.927 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.562 ' C ' HD13 ' A' ' 15' ' ' ILE . 43.6 mt-10 -96.97 -44.86 6.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -133.25 168.07 19.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.755 HD11 HD13 ' A' ' 71' ' ' LEU . 5.6 mt -47.12 -36.34 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 14.7 t70 -46.02 -33.5 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.62 -36.24 22.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.815 ' O ' HG22 ' A' ' 45' ' ' ILE . 41.4 mt -61.55 -34.24 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -55.06 -14.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -115.26 25.83 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.1 tt -103.51 144.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -127.3 156.24 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -39.71 -40.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 51' ' ' ILE . 84.3 p -60.72 -51.99 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.441 ' CD2' ' OH ' ' A' ' 36' ' ' TYR . 51.8 m80 -43.03 -55.2 3.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.988 HD13 ' HA ' ' A' ' 61' ' ' ARG . 26.9 mt -48.45 -48.58 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.437 HG12 ' NH1' ' A' ' 61' ' ' ARG . 71.2 mt -52.24 -52.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.3 -20.5 64.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' HG21 ' A' ' 30' ' ' THR . 86.6 mt -89.54 23.85 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m120 68.71 24.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -106.29 27.35 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.66 -24.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -73.9 131.59 81.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.841 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.53 10.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.6 -42.92 35.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 32.5 m-20 -78.65 -47.96 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.988 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.8 mtm-85 -54.4 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 65' ' ' LEU . . . -43.39 -58.24 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -53.89 -49.91 67.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.88 HD13 HD22 ' A' ' 50' ' ' LEU . 1.5 tt -56.04 -35.12 66.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 62' ' ' ALA . 9.6 mt -74.68 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.6 t -59.02 -18.09 31.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.68 -57.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -60.4 -33.67 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 70' ' ' SER . 11.9 pt-20 -65.04 -49.27 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.51 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.73 -42.74 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.755 HD13 HD11 ' A' ' 39' ' ' LEU . 7.6 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.0 tp-100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.869 0.366 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 17' ' ' GLU . 11.0 t -99.48 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.668 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -53.17 -44.36 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -43.72 -68.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' H ' HG23 ' A' ' 14' ' ' THR . 14.0 mt-10 -66.32 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.452 ' HD1' HD11 ' A' ' 71' ' ' LEU . 1.9 t80 -54.26 -26.33 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.759 HD23 HD11 ' A' ' 22' ' ' ILE . 86.5 mt -90.41 -40.39 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 10.2 mt-10 -51.38 -23.16 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 1.7 ptp180 -79.41 -38.26 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.813 HD12 HD12 ' A' ' 24' ' ' LEU . 6.1 pt -94.64 8.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 55.4 33.45 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 22' ' ' ILE . 19.1 mt -116.3 25.16 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -67.19 -7.77 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.5 pt-20 -71.9 -12.32 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.5 m-85 -106.3 -8.06 17.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.547 HG22 ' CD1' ' A' ' 32' ' ' LEU . 89.4 m -38.18 -71.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.423 ' O ' HD13 ' A' ' 33' ' ' LEU . 11.6 p -39.95 -50.04 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 53' ' ' LEU . 52.7 m -55.5 -36.43 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.544 ' CD1' HD11 ' A' ' 19' ' ' LEU . 11.6 mt -77.86 -52.2 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' CD1' HG22 ' A' ' 28' ' ' THR . 19.7 mt -57.2 -57.97 10.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 29' ' ' SER . 9.0 mp -48.35 -41.96 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -28.65 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 -38.53 1.64 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.4 ' O ' HD23 ' A' ' 32' ' ' LEU . 78.6 m-85 -57.7 100.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.668 ' C ' HD13 ' A' ' 15' ' ' ILE . 25.7 mt-10 -110.96 -31.64 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.494 ' N ' HD13 ' A' ' 15' ' ' ILE . 34.9 p -132.16 156.48 46.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.906 HD11 HD13 ' A' ' 71' ' ' LEU . 9.3 mt -43.7 -45.81 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.26 -38.66 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.25 -34.45 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.998 ' O ' HG22 ' A' ' 45' ' ' ILE . 27.3 mt -65.52 -21.32 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -67.26 -11.95 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.37 -2.46 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.998 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.5 tt -84.81 148.24 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 172.15 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -50.41 -49.89 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -49.33 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.419 ' CB ' HG13 ' A' ' 45' ' ' ILE . 41.5 m80 -45.37 -55.98 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 61' ' ' ARG . 23.8 mt -50.58 -51.11 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.433 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 62.8 mt -47.94 -50.06 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.39 -20.9 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.438 ' O ' HG21 ' A' ' 30' ' ' THR . 95.5 mt -87.56 21.5 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.65 26.86 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' A' ' 50' ' ' LEU . 8.2 mt -113.09 30.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.12 -22.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' ILE . 4.6 m-20 -75.44 131.73 77.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.85 15.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -52.27 -46.82 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.6 m-20 -74.84 -48.62 24.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.759 ' HA ' HD13 ' A' ' 50' ' ' LEU . 60.1 mtm-85 -52.7 -59.7 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.21 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -56.38 -26.72 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.447 HD13 HD22 ' A' ' 50' ' ' LEU . 1.6 tt -83.45 -34.24 25.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.13 -55.88 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.3 m -59.96 -17.69 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.82 -53.55 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -63.19 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.1 pt-20 -66.07 -48.96 69.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.498 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.5 t -55.89 -39.7 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.906 HD13 HD11 ' A' ' 39' ' ' LEU . 8.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.8 t -90.86 146.52 23.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.84 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -57.29 -51.22 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -41.65 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 14' ' ' THR . 27.4 mt-10 -65.3 -43.12 92.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CD1' HD11 ' A' ' 71' ' ' LEU . 1.4 t80 -51.36 -36.28 42.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 31' ' ' LEU . 91.1 mt -79.29 -35.76 40.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.36 -35.92 20.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 7.6 ptm180 -63.4 -48.09 79.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.665 ' CG1' HD23 ' A' ' 24' ' ' LEU . 9.9 pt -91.07 1.83 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 21.1 m-70 63.66 38.09 9.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD23 ' CG1' ' A' ' 22' ' ' ILE . 3.8 mm? -107.7 10.16 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 26.7 pt20 -53.94 -18.54 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 17.5 pt-20 -65.95 -8.51 23.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 98.0 m-85 -110.43 -1.33 17.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.428 HG22 ' CD1' ' A' ' 32' ' ' LEU . 89.5 m -42.59 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 m -41.52 -49.39 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 53' ' ' LEU . 29.6 m -54.59 -36.39 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -78.67 -49.63 12.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD1' HG22 ' A' ' 28' ' ' THR . 51.9 mt -58.54 -59.01 6.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mp -47.11 -37.65 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -71.74 -30.36 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.67 -28.53 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -62.79 94.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' HD13 ' A' ' 15' ' ' ILE . 21.1 mt-10 -96.77 -39.59 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -134.19 164.26 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.852 HD11 ' CD1' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -47.05 -44.31 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.96 -33.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.48 -39.31 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 15' ' ' ILE . 26.0 mt -61.3 -21.02 63.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -60.7 -9.68 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.18 -18.61 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.0 tt -63.18 139.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -128.17 178.49 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -51.29 -46.82 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 p -59.7 -55.24 36.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' CB ' HG13 ' A' ' 45' ' ' ILE . 67.3 m80 -41.04 -56.49 2.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.067 HD22 HD13 ' A' ' 64' ' ' LEU . 29.2 mt -48.54 -48.75 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.4 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 66.5 mt -52.58 -50.06 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -66.71 -20.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.668 ' O ' HG21 ' A' ' 30' ' ' THR . 95.2 mt -87.77 21.66 2.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 74.62 26.19 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 60' ' ' ASP . 9.9 mt -112.9 30.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.57 -22.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -76.85 133.07 70.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -32.12 19.36 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -53.33 -49.51 66.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.513 ' HB2' HG23 ' A' ' 55' ' ' ILE . 29.8 m-20 -72.83 -49.18 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.933 ' HA ' HD13 ' A' ' 50' ' ' LEU . 67.3 mtm-85 -48.94 -59.38 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.89 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -53.35 -39.17 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.067 HD13 HD22 ' A' ' 50' ' ' LEU . 1.8 tt -68.34 -56.27 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.1 mt -59.49 -68.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -39.29 -43.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.18 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.41 65.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -51.56 -34.53 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -68.34 -48.24 65.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.852 ' CD1' HD11 ' A' ' 39' ' ' LEU . 13.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.4 tp-100 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.5 t -105.72 126.57 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.742 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -34.51 -60.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' N ' HG22 ' A' ' 15' ' ' ILE . 15.0 mt-30 -33.74 -63.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' H ' HG23 ' A' ' 14' ' ' THR . 3.9 mm-40 -66.51 -46.39 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.701 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.1 t80 -50.53 -24.83 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 31' ' ' LEU . 86.4 mt -89.2 -41.94 11.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -48.43 -35.73 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.644 ' NH1' HD21 ' A' ' 71' ' ' LEU . 11.3 ptp180 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.478 HG23 ' HG3' ' A' ' 21' ' ' ARG . 28.6 pt -90.99 -0.26 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' LEU . 2.9 m-70 64.77 46.73 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.496 HD12 ' CD2' ' A' ' 27' ' ' TYR . 4.3 mm? -121.17 13.1 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -56.44 -13.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.58 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 8.0 pt-20 -70.28 -9.1 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.58 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.7 m-85 -109.96 -9.25 14.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 32' ' ' LEU . 20.9 m -36.33 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -42.42 -50.98 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.606 HG21 ' O ' ' A' ' 53' ' ' LEU . 64.1 m -54.0 -38.59 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.5 mt -74.95 -54.59 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 28' ' ' THR . 39.1 mt -55.54 -58.73 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.17 -41.09 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.31 -31.84 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.94 -37.42 1.59 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 99.3 m-85 -53.65 91.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' C ' HD13 ' A' ' 15' ' ' ILE . 37.8 mt-10 -93.62 -43.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -132.21 167.54 19.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.842 HD11 HD13 ' A' ' 71' ' ' LEU . 6.4 mt -47.11 -38.13 10.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -45.19 -35.28 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 5.3 m-20 -80.37 -37.04 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 45' ' ' ILE . 46.9 mt -65.69 -32.91 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -52.92 -17.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.53 30.16 7.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.2 tt -104.1 147.47 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -127.74 152.25 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -39.46 -39.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.2 m -61.84 -51.94 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -42.32 -54.18 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.063 HD22 HD13 ' A' ' 64' ' ' LEU . 38.4 mt -49.28 -49.99 41.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 48' ' ' SER . 71.4 mt -49.98 -52.3 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -22.24 66.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.606 ' O ' HG21 ' A' ' 30' ' ' THR . 91.8 mt -83.66 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 75.04 25.43 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 55' ' ' ILE . 13.8 mt -108.3 29.69 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -37.69 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.8 m-20 -74.17 129.2 84.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -36.71 10.12 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.284 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -47.32 -39.81 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.0 m-20 -82.59 -46.87 12.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.938 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.3 mtm-85 -51.23 -55.48 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.06 49.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -55.48 -38.91 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.063 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -68.21 -48.07 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.577 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.7 mt -68.52 -66.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -39.9 -39.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' ' 22' ' ' ILE . . . -66.99 -56.52 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.639 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -55.6 -37.81 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.63 -48.23 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -58.71 -48.3 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.842 HD13 HD11 ' A' ' 39' ' ' LEU . 11.4 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.5 tp-100 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 17' ' ' GLU . 11.5 t -98.92 130.2 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 16' ' ' GLN . 1.4 mp -36.65 -58.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.486 ' N ' HG22 ' A' ' 15' ' ' ILE . 8.7 mt-30 -34.47 -63.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' H ' HG23 ' A' ' 14' ' ' THR . 56.9 mt-10 -66.18 -46.4 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.749 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.4 t80 -51.18 -25.93 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' ILE . 79.6 mt -88.51 -38.64 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -51.87 -29.8 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -75.41 -34.92 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 19' ' ' LEU . 6.7 pt -95.33 5.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 55.66 39.28 30.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 22' ' ' ILE . 33.5 mt -124.99 19.82 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 2.6 pm0 -58.09 -14.14 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -16.43 63.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.598 ' CE1' ' OD2' ' A' ' 60' ' ' ASP . 78.6 m-85 -99.19 0.15 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 90.1 m -47.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -46.26 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.52 HG21 ' O ' ' A' ' 53' ' ' LEU . 30.7 m -58.42 -38.91 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 mt -75.87 -48.08 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 36' ' ' TYR . 62.6 mt -61.65 -58.62 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -47.48 -38.64 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.3 m-80 -71.5 -31.18 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.99 -34.99 1.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.588 ' CE1' HD12 ' A' ' 45' ' ' ILE . 96.8 m-85 -57.22 95.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' HD13 ' A' ' 15' ' ' ILE . 32.6 mt-10 -95.89 -45.88 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -131.1 168.72 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.841 HD11 HD13 ' A' ' 71' ' ' LEU . 5.4 mt -48.03 -43.05 29.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.38 -33.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -39.78 23.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.735 ' O ' HG22 ' A' ' 45' ' ' ILE . 72.5 mt -61.56 -33.1 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -54.3 -16.2 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.16 28.64 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.735 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.5 tt -103.37 145.8 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.28 157.04 39.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -41.56 -42.58 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.61 ' HA ' HD12 ' A' ' 51' ' ' ILE . 13.9 m -59.0 -54.86 42.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -40.61 -52.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 61' ' ' ARG . 54.0 mt -52.78 -52.8 55.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 48' ' ' SER . 62.4 mt -46.86 -52.21 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.47 -22.96 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.52 ' O ' HG21 ' A' ' 30' ' ' THR . 85.0 mt -83.35 17.22 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 74.99 25.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.567 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.9 mt -105.25 29.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.56 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.2 m-20 -77.68 129.76 75.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.24 27.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.68 -42.13 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.598 ' OD2' ' CE1' ' A' ' 27' ' ' TYR . 40.2 t0 -81.76 -46.72 13.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.901 ' HA ' HD13 ' A' ' 50' ' ' LEU . 74.5 mtm-85 -53.06 -49.47 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.93 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -57.55 -29.45 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.843 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -78.55 -46.98 18.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.24 -57.37 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -51.54 -47.55 63.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.79 -54.87 39.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.593 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -56.36 -38.63 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.89 -48.8 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -56.68 -48.13 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.841 HD13 HD11 ' A' ' 39' ' ' LEU . 9.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.847 0.356 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -94.02 130.68 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.607 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -35.95 -56.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HG3' HG21 ' A' ' 28' ' ' THR . 1.6 mp0 -35.53 -71.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' H ' HG23 ' A' ' 14' ' ' THR . 41.2 mt-10 -59.27 -41.0 87.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.624 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.3 t80 -56.36 -26.27 52.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 31' ' ' LEU . 89.6 mt -90.8 -39.47 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -51.19 -29.32 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.601 HH11 HG23 ' A' ' 22' ' ' ILE . 4.6 ptm180 -72.99 -38.3 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.928 HD12 HD12 ' A' ' 24' ' ' LEU . 6.5 pt -96.28 7.15 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 57.47 38.76 28.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.928 HD12 HD12 ' A' ' 22' ' ' ILE . 14.2 mt -117.22 19.32 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -60.24 -18.86 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 27' ' ' TYR . 17.4 pt-20 -62.66 -8.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CD1' ' HG3' ' A' ' 26' ' ' GLU . 96.1 m-85 -110.02 -9.27 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.495 HG21 ' HG3' ' A' ' 16' ' ' GLN . 25.8 m -37.41 -67.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -46.56 -50.25 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.604 HG21 ' O ' ' A' ' 53' ' ' LEU . 61.2 m -52.88 -38.11 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.5 mt -75.75 -51.11 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 36' ' ' TYR . 60.6 mt -58.0 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 mp -46.59 -39.34 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -70.19 -28.13 65.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 136.45 -31.58 2.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.474 ' O ' HD23 ' A' ' 32' ' ' LEU . 85.2 m-85 -61.85 97.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.519 ' C ' HD13 ' A' ' 15' ' ' ILE . 49.6 mt-10 -99.44 -42.03 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 36.5 p -129.49 165.28 21.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.853 HD11 HD13 ' A' ' 71' ' ' LEU . 8.8 mt -46.67 -44.63 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -40.85 -33.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.6 -32.87 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.747 ' O ' HG22 ' A' ' 45' ' ' ILE . 29.8 mt -67.11 -30.0 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -58.13 -12.26 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -107.06 -11.59 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.747 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.0 tt -73.46 143.0 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -128.1 -179.44 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -55.69 -46.99 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.401 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.6 p -58.46 -55.8 30.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -39.97 -57.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.052 HD22 HD13 ' A' ' 64' ' ' LEU . 32.9 mt -48.09 -50.08 29.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 48' ' ' SER . 68.5 mt -51.35 -51.09 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -65.61 -21.13 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.604 ' O ' HG21 ' A' ' 30' ' ' THR . 94.2 mt -86.03 19.76 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 75.0 26.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 8.1 mt -111.54 30.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.47 -24.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -74.74 129.55 83.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -30.48 22.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.13 -49.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 5.3 m-20 -74.11 -48.58 28.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.933 ' HA ' HD13 ' A' ' 50' ' ' LEU . 62.5 mtm-85 -47.52 -55.6 8.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.95 -52.41 65.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.052 HD13 HD22 ' A' ' 50' ' ' LEU . 2.0 tt -76.28 -49.78 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.4 mt -67.36 -65.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -43.66 -40.61 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.21 -57.91 8.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -50.6 -53.99 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -54.64 -26.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -76.98 -19.35 57.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.853 HD13 HD11 ' A' ' 39' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.6 tp-100 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 17' ' ' GLU . 8.8 t -90.83 144.61 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.599 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -50.36 -50.35 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 1.2 mp0 -41.0 -70.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' H ' HG23 ' A' ' 14' ' ' THR . 43.0 mm-40 -61.49 -38.84 88.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.5 t80 -57.41 -28.56 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.889 HD23 HD11 ' A' ' 22' ' ' ILE . 86.5 mt -87.55 -39.82 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.92 -37.41 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -68.71 -41.33 79.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.955 HD12 HD12 ' A' ' 24' ' ' LEU . 16.4 pt -89.57 4.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 57.74 44.22 20.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.955 HD12 HD12 ' A' ' 22' ' ' ILE . 26.7 mt -127.69 18.54 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 14.6 pt20 -59.28 -10.91 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.9 -16.38 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.494 ' CE2' HG12 ' A' ' 55' ' ' ILE . 85.2 m-85 -99.6 -4.56 30.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.2 m -42.55 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.163 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 33' ' ' LEU . 24.5 p -40.14 -47.79 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.432 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 54.0 m -57.02 -38.57 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.58 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -75.7 -49.06 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 36' ' ' TYR . 52.0 mt -60.36 -59.9 4.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 29' ' ' SER . 6.6 mp -45.96 -40.82 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -68.28 -35.77 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 -34.66 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.446 ' O ' HD23 ' A' ' 32' ' ' LEU . 91.4 m-85 -57.61 106.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' C ' HD13 ' A' ' 15' ' ' ILE . 28.2 mt-10 -105.18 -42.09 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.4 p -134.23 165.65 24.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.872 HD11 HD13 ' A' ' 71' ' ' LEU . 7.7 mt -43.92 -44.57 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -40.15 -36.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.73 -39.91 35.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 39' ' ' LEU . 77.8 mt -60.16 -34.54 73.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -51.75 -16.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -102.81 -18.94 14.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.802 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 42' ' ' LEU . 3.7 tt -63.9 141.05 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.97 172.33 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -48.53 -43.5 35.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.442 ' HA ' HD12 ' A' ' 51' ' ' ILE . 43.5 p -63.09 -55.59 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -40.17 -55.51 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.943 HD13 ' HA ' ' A' ' 61' ' ' ARG . 41.2 mt -49.23 -51.11 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 48' ' ' SER . 72.1 mt -48.71 -55.09 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -59.44 -21.26 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.15 26.09 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 m120 67.62 25.05 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 50' ' ' LEU . 7.0 mt -108.59 27.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.46 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 14.6 m-20 -74.04 131.98 80.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.7 8.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.11 -41.21 48.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.2 m-20 -80.9 -47.46 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.943 ' HA ' HD13 ' A' ' 50' ' ' LEU . 64.1 mtm-85 -52.18 -56.88 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.94 50.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -56.89 -30.45 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.868 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -79.18 -38.08 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.556 ' HG ' HD11 ' A' ' 50' ' ' LEU . 6.3 mt -76.1 -64.08 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -45.75 -35.71 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.47 -58.12 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -55.39 -36.62 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.7 -46.34 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 t -62.11 -45.9 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 HD11 ' A' ' 39' ' ' LEU . 8.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.796 ' HB3' HD22 ' A' ' 39' ' ' LEU . 8.7 tp-100 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.942 0.401 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.741 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.5 t -100.88 148.72 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.525 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -63.72 -38.23 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.62 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 1.1 mp0 -53.33 -56.15 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.741 ' H ' HG23 ' A' ' 14' ' ' THR . 48.0 mt-10 -73.31 -34.29 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.715 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.0 t80 -63.49 -29.09 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.787 HD23 HD11 ' A' ' 22' ' ' ILE . 91.5 mt -86.78 -43.56 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.91 -36.79 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.432 ' NH1' HD21 ' A' ' 71' ' ' LEU . 9.4 ptp180 -67.82 -43.48 79.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.787 HD11 HD23 ' A' ' 19' ' ' LEU . 6.5 pt -88.1 2.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 59.77 42.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 60' ' ' ASP . 10.8 mt -125.75 23.09 7.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -61.99 -14.2 32.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.531 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.4 pt-20 -67.42 -10.69 53.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.531 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.4 m-85 -107.5 -1.51 21.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.517 HG22 ' CD1' ' A' ' 32' ' ' LEU . 89.9 m -45.44 -70.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 p -42.83 -50.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 24.6 m -53.42 -32.88 51.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.523 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -82.41 -49.27 10.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 28' ' ' THR . 30.2 mt -60.75 -60.6 3.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.07 -34.64 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -74.74 -33.22 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.52 -20.61 2.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 32' ' ' LEU . 99.1 m-85 -71.96 95.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' C ' HD13 ' A' ' 15' ' ' ILE . 40.6 mt-10 -94.73 -43.95 8.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' LEU . 73.1 p -134.43 157.06 47.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.114 HD21 HD13 ' A' ' 71' ' ' LEU . 10.8 mp -36.46 -41.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 10.1 t70 -38.11 -47.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.25 -36.27 63.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.038 ' O ' HG22 ' A' ' 45' ' ' ILE . 28.8 mt -57.9 -29.37 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 7.8 ptmt -59.41 -11.05 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -108.36 -11.46 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 1.038 HG22 ' O ' ' A' ' 42' ' ' LEU . 7.7 tt -75.15 148.5 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -131.43 -177.35 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -61.35 -49.39 77.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.9 p -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -51.21 -56.21 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.977 HD13 ' HA ' ' A' ' 61' ' ' ARG . 29.6 mt -50.35 -48.47 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.424 HG12 ' NH1' ' A' ' 61' ' ' ARG . 77.5 mt -53.48 -47.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.0 -23.32 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' CD2' ' OD1' ' A' ' 34' ' ' ASN . 95.5 mt -83.82 17.6 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 t30 74.97 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 55' ' ' ILE . 14.1 mt -105.69 29.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.66 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -73.89 127.62 87.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -36.41 10.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -47.69 -38.68 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.585 ' HA ' HD11 ' A' ' 24' ' ' LEU . 6.5 m-20 -82.72 -47.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.977 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.7 mtm-85 -52.75 -55.11 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.15 61.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.051 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -56.56 -28.65 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.817 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.1 tt -80.29 -46.91 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -68.29 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -45.56 -41.98 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.21 38.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.78 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.73 -46.98 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -48.35 -52.62 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -55.1 -44.75 75.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.114 HD13 HD21 ' A' ' 39' ' ' LEU . 7.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.583 ' HG2' HD13 ' A' ' 71' ' ' LEU . 6.3 tp60 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -88.59 139.23 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.5 mp -52.29 -55.28 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' ILE . 23.4 mp0 -35.84 -61.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -67.81 -49.68 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.8 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.4 t80 -47.2 -28.55 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 22' ' ' ILE . 93.8 mt -86.32 -37.87 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -54.34 -32.05 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -74.02 -33.43 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 19' ' ' LEU . 6.9 pt -96.82 7.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 52.5 39.89 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.57 HD12 HD12 ' A' ' 22' ' ' ILE . 21.2 mt -123.07 18.11 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -57.63 -13.13 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.68 -11.23 24.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.67 -1.87 16.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.9 m -45.07 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.8 p -42.98 -50.66 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.487 HG21 ' O ' ' A' ' 53' ' ' LEU . 15.4 m -54.58 -31.44 56.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 19' ' ' LEU . 11.5 mt -82.69 -51.24 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 36' ' ' TYR . 49.1 mt -59.22 -58.16 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -47.31 -32.62 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -77.88 -28.36 49.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.64 -26.89 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.543 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.1 m-85 -61.46 89.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.8 -41.53 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -134.07 161.17 35.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.749 HD11 HD12 ' A' ' 71' ' ' LEU . 1.6 mm? -46.95 -39.87 13.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 5.8 m-20 -39.45 -33.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.84 -40.05 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.641 ' O ' HG22 ' A' ' 45' ' ' ILE . 78.9 mt -57.22 -31.18 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt -50.23 -18.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -116.31 32.4 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.1 tt -107.47 134.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -114.49 157.66 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.2 -44.91 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.9 p -56.02 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -38.36 -52.73 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.991 ' CD2' HD13 ' A' ' 64' ' ' LEU . 42.4 mt -53.41 -50.17 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.427 HG12 ' NH1' ' A' ' 61' ' ' ARG . 72.8 mt -50.47 -53.38 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.73 -23.57 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.487 ' O ' HG21 ' A' ' 30' ' ' THR . 84.8 mt -83.86 17.9 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.73 25.05 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 55' ' ' ILE . 10.4 mt -107.02 29.45 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.83 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.6 m-20 -73.91 129.63 84.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.45 6.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.49 -38.85 14.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.496 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.8 m-20 -82.24 -47.14 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.941 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.2 mtm-85 -51.52 -54.0 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -52.0 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -57.25 -28.57 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.991 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.2 tt -80.83 -46.44 15.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.632 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.6 mt -70.42 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -45.92 -44.88 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.2 -54.87 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.57 -38.31 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.32 -39.06 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.8 HD11 ' CD1' ' A' ' 18' ' ' PHE . 17.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -40.07 144.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -44.61 -49.17 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 139.99 15.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -69.55 154.4 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -117.88 -53.11 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.11 -122.33 0.87 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.61 165.27 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -131.93 152.61 50.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 9.5 tt0 -114.57 101.91 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 43.53 28.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 31.2 m170 -89.55 122.33 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 -92.7 136.58 33.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.776 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -94.35 154.27 17.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.504 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -62.52 -41.41 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -53.64 -42.88 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.776 ' H ' HG23 ' A' ' 14' ' ' THR . 48.4 mt-10 -84.24 -34.04 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.754 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.6 t80 -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 31' ' ' LEU . 93.8 mt -87.57 -39.61 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' OE2' ' NE2' ' A' ' 25' ' ' GLN . 39.6 mm-40 -53.58 -37.06 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' HB2' ' NH1' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -65.48 -37.3 86.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.012 HD12 HD12 ' A' ' 24' ' ' LEU . 6.9 pt -98.04 8.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 53.65 40.36 31.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 22' ' ' ILE . 33.5 mt -120.48 17.59 12.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.52 ' NE2' ' OE2' ' A' ' 20' ' ' GLU . 13.4 pt20 -58.1 -13.5 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 10.2 pt-20 -65.41 -14.62 61.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.445 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 88.4 m-85 -104.29 0.61 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' LEU . 88.1 m -46.06 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' HD13 ' A' ' 33' ' ' LEU . 13.6 p -39.54 -51.14 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 18.4 m -54.21 -38.93 66.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.7 mt -75.75 -54.67 6.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 36' ' ' TYR . 25.5 mt -54.15 -57.95 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 29' ' ' SER . 7.9 mp -48.88 -44.84 40.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.4 m-80 -63.49 -26.24 68.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.55 -27.51 3.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.547 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.9 m-85 -63.68 92.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.504 ' C ' HD13 ' A' ' 15' ' ' ILE . 17.8 mt-10 -93.59 -42.4 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -134.16 162.68 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.786 HD11 HD13 ' A' ' 71' ' ' LEU . 6.7 mt -41.89 -40.79 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -40.85 -42.53 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 5.2 m-20 -75.46 -36.32 60.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.027 ' O ' HG22 ' A' ' 45' ' ' ILE . 22.4 mt -62.45 -29.17 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.8 ptmt -59.0 -11.86 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -108.79 -13.23 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.027 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -69.4 147.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -131.22 -179.5 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -57.58 -48.08 80.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -57.98 -50.08 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -44.4 -56.16 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.013 HD22 HD13 ' A' ' 64' ' ' LEU . 28.2 mt -48.37 -48.6 36.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 61.6 mt -53.38 -46.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.24 -21.4 63.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 96.3 mt -87.37 21.12 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 t30 74.69 25.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 50' ' ' LEU . 9.3 mt -110.82 30.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.416 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.4 -22.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.2 m-20 -75.13 133.18 75.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -38.99 6.98 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.91 -44.94 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.486 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.2 m-20 -75.94 -48.82 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.959 ' HA ' HD13 ' A' ' 50' ' ' LEU . 64.2 mtm-85 -50.25 -58.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.81 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -57.04 -28.52 62.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.013 HD13 HD22 ' A' ' 50' ' ' LEU . 2.2 tt -79.93 -46.09 17.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.7 mt -70.6 -60.5 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.5 t -47.03 -40.16 14.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.73 61.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.715 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.08 -42.18 85.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.08 -45.95 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -60.09 -42.99 95.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.786 HD13 HD11 ' A' ' 39' ' ' LEU . 6.8 mt -66.37 -57.47 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 45.1 mt -68.29 -70.9 0.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -72.52 82.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.46 85.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 87.6 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -111.35 116.13 30.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 t -52.64 -45.73 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m 56.82 42.18 26.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -41.68 125.65 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.32 82.94 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -71.19 149.62 46.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -76.49 166.18 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.33 41.68 2.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -138.0 152.76 49.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -91.53 149.1 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.54 161.74 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -50.77 175.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -140.44 146.98 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.493 ' HB3' HD12 ' A' ' 39' ' ' LEU . 3.0 tp-100 -107.1 140.4 39.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.433 ' OG1' ' NE2' ' A' ' 16' ' ' GLN . 11.2 t -99.09 149.63 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.493 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -53.58 -49.68 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.433 ' NE2' ' OG1' ' A' ' 14' ' ' THR . 0.4 OUTLIER -40.68 -68.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' H ' HG23 ' A' ' 14' ' ' THR . 69.2 mm-40 -64.42 -40.97 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.7 t80 -55.18 -24.85 28.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.724 HD23 HD11 ' A' ' 22' ' ' ILE . 90.0 mt -92.68 -39.29 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.87 -29.26 11.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -73.81 -34.83 64.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.95 HD12 HD12 ' A' ' 24' ' ' LEU . 4.3 pt -98.92 12.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 49.55 39.8 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.95 HD12 HD12 ' A' ' 22' ' ' ILE . 36.2 mt -119.71 13.32 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -53.75 -16.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.01 -17.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.594 ' CE2' ' OD2' ' A' ' 60' ' ' ASP . 96.4 m-85 -100.91 -9.38 21.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.8 m -38.57 -72.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 p -39.91 -50.52 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.536 HG21 ' O ' ' A' ' 53' ' ' LEU . 42.3 m -54.8 -37.03 65.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.04 -45.32 27.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 36' ' ' TYR . 85.4 mt -63.92 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.66 -35.59 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -73.1 -32.63 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 142.51 -33.15 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.622 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.9 m-85 -58.7 96.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' C ' HD13 ' A' ' 15' ' ' ILE . 75.8 mt-10 -94.78 -44.62 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -133.73 166.15 23.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.845 HD11 HD13 ' A' ' 71' ' ' LEU . 7.5 mt -45.93 -41.75 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -41.64 -33.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.42 -33.34 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.952 ' O ' HG22 ' A' ' 45' ' ' ILE . 24.7 mt -64.86 -21.16 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 72' ' ' LEU . 10.7 ptmt -63.91 -10.39 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.99 -4.88 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.952 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.3 tt -77.74 145.12 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 176.59 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.2 -42.09 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 51' ' ' ILE . 55.3 p -62.56 -50.5 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.422 ' CB ' HG13 ' A' ' 45' ' ' ILE . 61.1 m80 -44.35 -53.95 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.98 HD13 ' HA ' ' A' ' 61' ' ' ARG . 21.4 mt -49.67 -47.98 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 48' ' ' SER . 70.0 mt -52.41 -53.46 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.25 -22.0 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.536 ' O ' HG21 ' A' ' 30' ' ' THR . 96.4 mt -86.28 19.17 2.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 m120 74.81 25.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 50' ' ' LEU . 9.4 mt -109.46 28.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.53 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.5 m-20 -77.28 132.22 70.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.87 28.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -53.0 -49.6 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 43.2 t0 -76.09 -46.47 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.98 ' HA ' HD13 ' A' ' 50' ' ' LEU . 66.0 mtm-85 -51.27 -59.63 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.88 -55.76 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 48.8 mtt-85 -56.05 -36.19 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.871 HD13 HD22 ' A' ' 50' ' ' LEU . 1.3 tt -72.82 -35.7 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.65 -60.75 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.412 ' HA ' ' CD ' ' A' ' 69' ' ' GLU . 17.9 m -57.43 -18.84 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -84.44 -55.4 4.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -62.79 -31.54 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 70' ' ' SER . 9.6 pt-20 -67.02 -48.06 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.476 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 t -57.17 -36.86 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 39' ' ' LEU . 9.5 mt -71.97 -70.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 43' ' ' LYS . 11.6 mt -62.3 -72.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -78.67 79.8 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.7 140.09 6.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.32 27.66 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 t -117.71 -59.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 p -50.36 176.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -43.61 -58.22 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -54.7 -59.06 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.59 163.45 31.92 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.424 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -101.79 91.52 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.839 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -103.05 98.3 8.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.3 -51.58 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -70.26 101.98 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' HB2' ' NH1' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -44.3 128.33 6.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.25 165.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.84 -179.9 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -120.3 146.93 45.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 2.4 tp-100 -98.51 139.84 33.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 t -97.68 136.99 37.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.8 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -44.69 -51.93 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.498 ' CD ' HG21 ' A' ' 28' ' ' THR . 29.9 mm-40 -37.94 -64.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.06 -47.26 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.737 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.0 t80 -47.7 -29.31 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 31' ' ' LEU . 95.3 mt -88.05 -43.92 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -48.57 -34.15 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.573 HH11 HG23 ' A' ' 22' ' ' ILE . 4.8 ptm180 -68.5 -43.25 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.573 HG23 HH11 ' A' ' 21' ' ' ARG . 15.1 pt -91.32 1.28 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 64.06 41.15 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD23 ' HB ' ' A' ' 22' ' ' ILE . 4.0 mm? -114.83 8.66 16.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -51.47 -22.48 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 13.9 pt-20 -61.08 -9.32 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.0 m-85 -112.46 -9.7 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.498 HG21 ' CD ' ' A' ' 16' ' ' GLN . 78.8 m -36.99 -71.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -44.74 -47.06 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 19.6 m -58.26 -30.21 66.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -83.5 -51.55 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 36' ' ' TYR . 55.0 mt -57.76 -59.04 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -46.13 -37.91 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.6 m-80 -72.42 -28.35 62.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.18 -34.35 2.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.444 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.632 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.3 m-85 -56.06 93.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.552 ' C ' HD13 ' A' ' 15' ' ' ILE . 22.8 mt-10 -94.58 -42.07 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.4 p -134.11 166.42 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.769 HD11 HD13 ' A' ' 71' ' ' LEU . 3.8 mt -44.94 -41.89 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -41.09 -36.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 2.8 m-20 -78.49 -37.45 43.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 HG13 ' A' ' 15' ' ' ILE . 39.6 mt -67.59 -24.3 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.0 ptmt -58.0 -21.1 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.23 32.93 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.9 tt -104.84 135.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 159.54 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.6 -43.54 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 51' ' ' ILE . 66.4 p -56.57 -52.84 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -41.26 -55.76 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.053 HD22 HD13 ' A' ' 64' ' ' LEU . 17.8 mt -48.84 -45.56 40.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 48' ' ' SER . 76.4 mt -54.6 -50.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.71 -21.65 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 94.4 mt -85.16 18.68 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 75.01 25.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 55' ' ' ILE . 11.9 mt -109.09 29.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -75.88 131.88 75.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.21 8.17 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -48.07 -40.31 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.7 m-20 -80.81 -47.62 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.942 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.1 mtm-85 -51.3 -52.35 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.64 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -58.99 -29.76 67.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.053 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -78.76 -42.9 26.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.711 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.4 mt -75.06 -63.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -23.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.56 -55.46 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.03 -31.65 42.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -47.1 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -57.36 -39.47 76.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 39' ' ' LEU . 11.9 mt -66.68 -65.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 74' ' ' GLY . 43.6 mt -57.29 -62.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.0 t -50.82 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 71.78 146.26 0.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.532 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 89.59 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.7 m -127.24 95.59 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.3 p -160.91 136.66 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -116.44 113.79 23.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -98.45 -52.63 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.6 87.34 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 6' ' ' SER . 82.6 p -118.22 71.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.83 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.0 m 35.33 44.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.33 -50.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -168.72 147.55 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.64 156.85 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -136.32 137.11 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' HIS . 28.6 m-20 -59.6 -45.58 91.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ASN . 65.9 m-70 -35.82 134.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 18' ' ' PHE . 5.6 tp-100 -87.83 133.67 33.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 t -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.535 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -38.08 -55.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.465 ' OE1' HD21 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -36.81 -63.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.3 -44.61 82.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.485 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.7 t80 -52.93 -24.93 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD23 HD11 ' A' ' 22' ' ' ILE . 96.0 mt -89.69 -38.99 13.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.51 -28.35 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.67 -41.86 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.692 ' HB ' HD23 ' A' ' 24' ' ' LEU . 12.0 pt -92.9 1.14 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 62.41 37.68 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.692 HD23 ' HB ' ' A' ' 22' ' ' ILE . 1.7 mm? -112.36 15.84 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.1 -14.29 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.63 -16.59 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.624 ' CE2' HD12 ' A' ' 24' ' ' LEU . 74.7 m-85 -103.44 -3.5 25.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.2 m -42.06 -73.24 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -42.51 -48.53 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 53' ' ' LEU . 15.0 m -55.07 -39.15 68.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -75.23 -48.1 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD21 ' OE1' ' A' ' 16' ' ' GLN . 53.3 mt -61.21 -62.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -44.7 -41.95 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -65.57 -37.46 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.1 -28.83 1.68 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 94.6 m-85 -64.37 96.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' C ' HD13 ' A' ' 15' ' ' ILE . 42.7 mt-10 -97.87 -39.87 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 p -134.23 163.73 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 71' ' ' LEU . 5.8 mt -43.4 -41.35 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 4.1 m-20 -41.02 -40.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.472 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -76.1 -39.67 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.799 ' O ' HG22 ' A' ' 45' ' ' ILE . 45.7 mt -57.92 -21.58 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 8.0 ptmt -65.42 -11.04 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -110.46 -5.56 15.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.7 tt -79.78 142.89 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -131.57 177.29 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -53.09 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -60.32 -51.96 67.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -43.54 -56.43 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.961 HD13 ' HA ' ' A' ' 61' ' ' ARG . 19.7 mt -47.03 -46.48 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.97 -50.43 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.42 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.503 ' O ' HG21 ' A' ' 30' ' ' THR . 95.6 mt -86.91 19.46 3.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 74.82 25.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 50' ' ' LEU . 12.1 mt -109.71 29.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -42.26 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m-20 -76.0 132.0 74.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.52 6.44 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -47.68 -40.12 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.484 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.6 m-20 -81.31 -47.65 13.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.961 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.5 mtm-85 -52.66 -56.81 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.8 -53.25 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.49 -33.52 66.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.934 HD13 HD22 ' A' ' 50' ' ' LEU . 1.7 tt -73.41 -56.08 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.484 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.3 mt -57.72 -59.73 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 t -45.9 -45.46 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.47 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.43 -49.38 77.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -48.93 -54.6 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -49.14 -41.53 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 39' ' ' LEU . 6.8 mt -72.73 -69.54 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.11 -72.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -76.6 83.0 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.62 -87.2 0.67 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 157.46 60.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.4 m -52.43 103.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 t -123.49 162.47 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -161.56 149.6 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -131.74 161.21 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.67 -76.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 p 43.28 41.1 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -164.23 169.6 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.97 -149.72 18.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -104.47 101.98 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 mmt-85 -115.67 147.79 40.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.07 21.94 16.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -119.7 123.3 43.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -137.79 133.24 33.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' HD23 ' A' ' 39' ' ' LEU . 3.5 tp-100 -93.23 141.65 28.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.588 HG23 ' H ' ' A' ' 17' ' ' GLU . 15.0 t -98.39 149.99 22.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.906 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -58.09 -48.68 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.618 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 2.0 mp0 -43.46 -62.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.588 ' H ' HG23 ' A' ' 14' ' ' THR . 35.9 mt-10 -67.75 -41.0 84.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.3 t80 -55.14 -30.99 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.649 HD11 ' CD1' ' A' ' 31' ' ' LEU . 94.0 mt -85.69 -43.42 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -47.62 -35.06 8.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -65.02 -39.65 93.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.644 ' O ' HD22 ' A' ' 24' ' ' LEU . 5.9 pt -96.49 5.73 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 63.63 34.69 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 22' ' ' ILE . 1.6 mm? -112.63 21.5 15.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -63.9 -7.52 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -75.37 -16.42 60.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CE2' HD12 ' A' ' 24' ' ' LEU . 69.5 m-85 -100.6 -4.42 28.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.7 m -44.13 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -40.27 -49.33 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.583 HG21 ' O ' ' A' ' 53' ' ' LEU . 13.4 m -56.38 -35.32 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.649 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.2 mt -78.65 -51.23 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 36' ' ' TYR . 31.7 mt -58.82 -56.92 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.55 -33.81 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -77.52 -27.88 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.83 -36.35 1.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.49 ' O ' HD23 ' A' ' 32' ' ' LEU . 99.5 m-85 -55.47 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.495 ' C ' HD13 ' A' ' 15' ' ' ILE . 18.8 mt-10 -89.03 -44.81 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.488 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 82.0 p -134.32 168.51 18.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 71' ' ' LEU . 1.4 mm? -45.44 -43.81 11.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 1.9 m-20 -40.53 -33.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.43 -44.02 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.016 ' O ' HG22 ' A' ' 45' ' ' ILE . 35.1 mt -57.01 -22.46 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.626 ' HA ' HD13 ' A' ' 72' ' ' LEU . 9.3 ptmt -60.56 -10.46 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -113.79 -8.42 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.016 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.7 tt -74.47 147.1 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -131.49 178.35 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.54 -46.08 77.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -58.51 -52.24 66.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.401 ' CB ' HG13 ' A' ' 45' ' ' ILE . 55.0 m80 -41.99 -54.1 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.951 HD22 HD13 ' A' ' 64' ' ' LEU . 12.1 mt -49.89 -46.31 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.7 mt -54.61 -46.3 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.0 -20.14 62.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.583 ' O ' HG21 ' A' ' 30' ' ' THR . 95.8 mt -88.77 20.5 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 53' ' ' LEU . 1.4 m120 73.27 27.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 55' ' ' ILE . 14.7 mt -110.91 28.59 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -40.6 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.9 OUTLIER -74.75 131.76 78.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -40.82 4.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.74 2.294 . . . . 0.0 112.322 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -46.97 -39.73 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.488 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.5 m-20 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.921 ' HA ' HD13 ' A' ' 50' ' ' LEU . 66.1 mtm-85 -52.84 -57.17 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.23 -53.34 58.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -56.37 -36.16 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.951 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -70.95 -50.03 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.6 mt -67.95 -68.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' LEU . 31.0 t -38.24 -38.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -53.15 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -54.54 -50.53 67.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.34 -36.5 43.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -66.82 -42.74 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.733 ' CD1' HD11 ' A' ' 39' ' ' LEU . 4.2 mt -72.4 -56.89 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.626 HD13 ' HA ' ' A' ' 43' ' ' LYS . 11.0 mt -72.1 159.41 34.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.2 t 54.27 43.62 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.03 -158.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 109.1 2.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -128.24 45.55 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.0 m -58.99 128.26 36.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p 45.57 42.24 7.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -95.27 140.43 30.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.29 116.28 0.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -117.54 82.77 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.362 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -60.11 130.39 46.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.24 120.11 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -106.56 142.04 36.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -136.07 178.56 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.83 107.5 17.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -125.53 -176.55 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -166.03 147.22 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 6.3 tp-100 -101.37 132.68 46.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.0 t -97.01 125.66 41.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.628 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -34.03 -58.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.508 ' N ' HG22 ' A' ' 15' ' ' ILE . 7.4 mt-30 -34.52 -55.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.51 -47.66 46.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.1 t80 -51.33 -25.14 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.697 HD23 HD11 ' A' ' 22' ' ' ILE . 88.5 mt -85.51 -36.43 20.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.88 -33.12 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' CZ ' ' CB ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -72.72 -38.55 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.867 HD12 HD12 ' A' ' 24' ' ' LEU . 5.3 pt -93.77 7.87 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 53.66 35.72 21.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 22' ' ' ILE . 56.2 mt -118.1 19.95 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 16.7 pt20 -61.21 -11.76 10.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 17.9 pt-20 -65.93 -15.02 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.9 m-85 -105.09 4.54 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' LEU . 85.0 m -47.92 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 p -39.62 -51.1 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.714 HG21 ' O ' ' A' ' 53' ' ' LEU . 64.8 m -53.38 -37.18 62.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.8 mt -77.98 -51.49 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -55.9 -61.9 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mp -46.72 -39.83 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -68.1 -30.3 69.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 -33.46 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -56.24 91.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -90.83 -45.68 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.8 p -134.12 162.96 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.713 ' CD1' HD13 ' A' ' 71' ' ' LEU . 33.3 mt -40.51 -43.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' LEU . 43.2 m-20 -36.86 -41.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.46 -40.59 57.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 45' ' ' ILE . 60.5 mt -61.65 -29.64 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.2 ptmt -54.77 -17.47 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -118.7 31.81 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -102.99 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -128.19 151.16 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -38.25 -40.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -58.91 -48.07 82.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 32.8 m-70 -48.04 -53.15 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.967 ' CD2' HD13 ' A' ' 64' ' ' LEU . 14.7 mt -50.54 -44.69 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -54.13 -53.22 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.94 -23.34 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.714 ' O ' HG21 ' A' ' 30' ' ' THR . 87.2 mt -83.43 17.1 2.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 75.0 25.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -108.42 29.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.47 -24.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -75.21 132.68 76.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.76 7.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.39 -43.87 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.48 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 12.0 m-20 -77.38 -48.36 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.882 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.6 mtm-85 -49.2 -57.3 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.61 -53.08 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' HB2' HD11 ' A' ' 24' ' ' LEU . 43.3 mtt180 -56.53 -31.24 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.967 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.2 tt -78.09 -42.76 31.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.708 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.6 mt -74.55 -61.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 m -46.39 -39.44 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.33 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.696 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -54.17 -32.59 55.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -57.35 -40.34 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 39' ' ' LEU . 9.3 mt -64.53 -64.24 0.93 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 34.0 mt -59.51 -71.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.2 p -88.59 81.91 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 149.61 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 104.12 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.312 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m 46.0 45.28 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 t -78.36 141.18 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -107.72 116.56 32.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 m -157.4 136.27 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.27 -108.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -67.04 83.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.84 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -84.76 -54.41 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.34 46.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -131.9 124.44 29.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 4.6 ppt_? -80.83 160.68 24.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -131.97 144.13 50.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -135.54 -175.61 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -125.33 154.34 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.1 tp-100 -94.35 139.61 30.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.8 t -102.08 130.86 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.53 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -36.24 -54.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.6 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 1.6 mp0 -38.2 -65.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.18 -42.07 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.618 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.9 t80 -55.75 -25.16 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.714 HD23 HD11 ' A' ' 22' ' ' ILE . 98.2 mt -90.43 -38.17 13.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -53.23 -34.22 56.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -70.0 -41.69 74.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 24' ' ' LEU . 5.6 pt -90.03 4.35 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 60.3 32.82 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.989 HD12 HD12 ' A' ' 22' ' ' ILE . 60.4 mt -116.83 25.54 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -15.37 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 11.1 pt-20 -66.54 -9.92 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.0 m-85 -107.44 -1.73 21.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' LEU . 89.8 m -44.69 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -39.42 -49.44 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 53' ' ' LEU . 55.4 m -55.93 -36.62 67.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.56 -48.07 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 36' ' ' TYR . 73.6 mt -60.16 -60.96 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mp -45.89 -42.41 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -65.32 -33.47 76.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.85 -30.17 2.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.565 ' O ' HD23 ' A' ' 32' ' ' LEU . 93.9 m-85 -62.99 97.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.53 ' C ' HD13 ' A' ' 15' ' ' ILE . 22.9 mt-10 -97.06 -43.16 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -134.16 167.18 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.809 HD11 HD13 ' A' ' 71' ' ' LEU . 6.3 mt -45.61 -39.82 8.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -41.49 -35.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 5.8 m-20 -81.85 -38.84 24.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.694 ' O ' HG22 ' A' ' 45' ' ' ILE . 65.8 mt -61.21 -34.39 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 8.4 ptmt -53.16 -15.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.37 29.0 8.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.7 tt -102.72 146.42 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -127.64 156.51 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -40.85 -42.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.432 ' HA ' HD12 ' A' ' 51' ' ' ILE . 6.1 m -59.47 -55.2 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -39.36 -54.77 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.904 HD22 HD13 ' A' ' 64' ' ' LEU . 70.4 mt -50.82 -53.22 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 48' ' ' SER . 77.5 mt -45.13 -54.29 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.13 -21.74 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.578 ' O ' HG21 ' A' ' 30' ' ' THR . 95.3 mt -85.76 20.11 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 74.95 25.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.0 mt -111.64 30.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.12 -22.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -75.8 136.53 70.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -43.96 2.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.758 2.305 . . . . 0.0 112.33 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -48.67 -42.18 33.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 31.0 m-20 -74.88 -47.61 29.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.886 ' HA ' HD13 ' A' ' 50' ' ' LEU . 76.4 mtm-85 -58.5 -63.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.19 -57.23 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -49.14 -30.46 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.904 HD13 HD22 ' A' ' 50' ' ' LEU . 1.6 tt -78.54 -46.12 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 8.0 mp -58.43 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -41.99 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.86 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.67 -38.9 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' SER . 28.5 mm-40 -64.26 -50.64 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -52.95 -44.56 67.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.809 HD13 HD11 ' A' ' 39' ' ' LEU . 7.7 mt -64.04 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 8.9 mt -60.24 -59.27 5.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' GLU . 8.6 t 42.31 36.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.63 -100.52 2.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 130.67 19.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.218 . . . . 0.0 112.34 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 t -93.59 -55.82 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 m -149.55 122.13 8.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -80.47 -45.08 18.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 p -55.89 177.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.18 106.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -69.06 95.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -113.02 167.14 10.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.46 -102.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -124.16 25.39 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -134.0 160.02 38.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -103.06 121.92 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -149.67 178.55 8.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -136.32 152.24 50.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.434 ' O ' HD23 ' A' ' 39' ' ' LEU . 2.8 tp-100 -97.31 141.05 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -98.43 145.5 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.568 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -52.01 -48.56 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.531 ' NE2' HG21 ' A' ' 28' ' ' THR . 31.9 mm-40 -39.99 -69.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' H ' HG23 ' A' ' 14' ' ' THR . 80.8 mm-40 -65.35 -42.1 93.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.418 ' CD1' ' CD1' ' A' ' 71' ' ' LEU . 1.9 t80 -52.3 -24.03 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.575 HD11 ' CD1' ' A' ' 31' ' ' LEU . 92.9 mt -92.65 -40.1 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.72 -29.06 17.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -72.12 -40.17 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HB ' HD23 ' A' ' 24' ' ' LEU . 11.5 pt -95.93 3.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 62.79 40.56 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.543 HD23 ' HB ' ' A' ' 22' ' ' ILE . 3.8 mm? -118.12 13.65 13.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -58.49 -14.18 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.45 -9.87 55.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.462 ' CE2' HD12 ' A' ' 24' ' ' LEU . 97.6 m-85 -107.43 -5.84 17.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.531 HG21 ' NE2' ' A' ' 16' ' ' GLN . 89.5 m -39.63 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 p -39.41 -49.31 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 23.1 m -56.33 -36.77 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.46 -51.07 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 36' ' ' TYR . 45.7 mt -57.77 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -46.2 -35.15 4.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -74.18 -28.77 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 138.22 -32.98 2.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.507 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.6 m-85 -58.51 101.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' C ' HD13 ' A' ' 15' ' ' ILE . 14.0 mt-10 -100.17 -45.29 5.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -134.3 163.75 28.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 71' ' ' LEU . 1.4 mm? -41.21 -39.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.27 -41.87 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 10.5 m-20 -73.18 -42.98 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' HG22 ' A' ' 45' ' ' ILE . 66.8 mt -58.57 -18.89 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.871 ' HA ' HD13 ' A' ' 72' ' ' LEU . 8.8 ptmt -58.95 -19.34 42.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.97 29.17 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.901 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.3 tt -103.31 133.5 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -119.0 169.64 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.18 -44.47 43.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 m -57.32 -51.24 70.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -42.82 -54.12 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.138 HD22 HD13 ' A' ' 64' ' ' LEU . 25.6 mt -52.1 -47.72 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.417 HG12 ' NH1' ' A' ' 61' ' ' ARG . 56.2 mt -49.59 -55.59 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.07 -21.15 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 30' ' ' THR . 91.7 mt -84.93 19.85 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m120 71.78 24.93 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' ' N ' ' A' ' 57' ' ' ASP . 9.8 mt -107.81 28.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.59 -26.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.1 m-20 -73.97 130.64 82.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.615 0.722 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.93 5.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -46.63 -35.95 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 18.4 m-20 -86.42 -46.43 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.955 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.7 mtm-85 -54.2 -55.32 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.0 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -56.59 -38.34 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.138 HD13 HD22 ' A' ' 50' ' ' LEU . 2.4 tt -69.32 -37.45 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.3 mt -76.18 -63.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.6 t -47.03 -20.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.7 -54.01 4.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.562 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.3 pt-20 -64.57 -47.43 78.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.1 t -58.84 -43.76 90.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.646 ' CD1' HD11 ' A' ' 39' ' ' LEU . 3.1 mt -70.04 -56.25 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.871 HD13 ' HA ' ' A' ' 43' ' ' LYS . 9.8 mt -71.96 145.74 48.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.2 p -37.71 -45.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.94 143.7 6.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.87 29.46 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.248 . . . . 0.0 112.381 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -46.81 -56.94 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.4 m -103.24 109.76 21.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -134.1 147.65 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 p -174.97 151.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.17 48.76 3.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -166.91 107.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 t -154.37 166.22 33.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.67 44.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -92.74 100.91 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.66 19.75 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -97.09 102.53 14.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.42 143.0 27.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -110.85 122.59 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.7 tp-100 -101.33 129.85 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 t -85.64 128.11 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -37.94 -59.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.5 ' N ' HG22 ' A' ' 15' ' ' ILE . 8.1 mt-30 -34.11 -62.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.722 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.5 t80 -53.69 -28.37 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.47 HD11 ' CD1' ' A' ' 31' ' ' LEU . 65.9 mt -84.78 -45.63 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.523 ' NH1' HD21 ' A' ' 71' ' ' LEU . 6.8 ptm180 -66.87 -46.22 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.638 HD12 HD23 ' A' ' 24' ' ' LEU . 15.3 pt -88.09 0.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 63.74 36.92 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.638 HD23 HD12 ' A' ' 22' ' ' ILE . 2.1 mm? -113.87 20.7 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -61.01 -13.47 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.4 -17.0 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.604 ' CE2' HD12 ' A' ' 24' ' ' LEU . 71.5 m-85 -102.46 -7.07 22.24 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 32' ' ' LEU . 44.0 m -37.79 -73.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -42.79 -48.65 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 63.9 m -55.64 -38.71 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -75.37 -52.87 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 28' ' ' THR . 35.4 mt -56.91 -57.43 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 mt -47.77 -48.38 30.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.0 m-80 -60.49 -34.11 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.05 -30.34 1.91 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 97.6 m-85 -59.59 91.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' C ' HD13 ' A' ' 15' ' ' ILE . 16.0 mt-10 -90.69 -44.15 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 80.8 p -134.11 168.94 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.948 HD11 HD13 ' A' ' 71' ' ' LEU . 9.0 mt -45.95 -42.23 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -42.47 -33.56 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 4.9 m-20 -79.22 -37.74 37.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.727 ' O ' HG22 ' A' ' 45' ' ' ILE . 88.6 mt -67.95 -30.55 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.1 ptmt -50.53 -23.53 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.04 32.68 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -101.76 145.46 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' GLU . 15.5 mmtp -126.25 150.28 48.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' LYS . 34.3 tt0 -37.84 -37.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -63.68 -49.93 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -44.32 -52.91 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.101 HD22 HD13 ' A' ' 64' ' ' LEU . 34.8 mt -50.46 -49.27 55.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.05 -53.43 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -63.05 -21.88 66.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 86.7 mt -84.02 17.88 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m120 75.0 25.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.544 HG22 ' O ' ' A' ' 55' ' ' ILE . 14.9 mt -108.8 30.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.74 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.7 m-20 -75.63 130.19 79.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.14 2.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.1 -30.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.493 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 20.4 m-20 -90.99 -43.53 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.967 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.8 mtm-85 -56.67 -50.88 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 31.9 mtt180 -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.101 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -70.27 -45.71 65.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.627 ' HG ' HD11 ' A' ' 50' ' ' LEU . 6.2 mt -71.38 -59.92 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -52.92 -18.61 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -87.84 -56.55 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.69 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.45 -32.83 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' SER . 15.0 pt-20 -65.57 -48.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.55 -38.88 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.948 HD13 HD11 ' A' ' 39' ' ' LEU . 15.0 mt -63.97 -56.58 14.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 14.4 mt -73.11 -17.25 61.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' GLU . 3.0 m -65.31 -56.09 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -138.88 154.07 23.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.25 4.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 t -37.93 114.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t -125.64 104.08 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 m -77.29 -58.17 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -61.75 132.18 52.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.6 89.52 0.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -72.12 105.94 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t -63.77 90.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.62 -128.34 9.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 59.29 45.48 14.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -116.77 162.2 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -101.26 41.99 1.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -152.62 142.46 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -133.71 137.3 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 14' ' ' THR . 1.9 tp-100 -99.37 138.09 36.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.1 t -101.86 124.57 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.59 HG13 HD11 ' A' ' 42' ' ' LEU . 1.2 mp -35.65 -48.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.69 -46.82 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' H ' HG23 ' A' ' 14' ' ' THR . 34.7 mt-10 -80.69 -41.52 23.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.65 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.1 t80 -58.31 -23.66 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.752 HD11 ' CD1' ' A' ' 31' ' ' LEU . 63.9 mt -87.78 -45.83 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -48.08 -36.8 13.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -62.88 -39.45 94.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.698 HD12 HD23 ' A' ' 24' ' ' LEU . 13.2 pt -95.9 2.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 63.83 36.82 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 HD12 ' A' ' 22' ' ' ILE . 2.0 mm? -114.01 17.56 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.427 ' N ' ' CD ' ' A' ' 25' ' ' GLN . 1.3 pm0 -57.27 -12.41 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.32 -14.99 63.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.612 ' CE2' HD12 ' A' ' 24' ' ' LEU . 60.2 m-85 -104.53 -6.46 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -40.47 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -42.39 -50.13 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 53' ' ' LEU . 50.2 m -54.26 -38.92 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.752 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -74.81 -51.1 14.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 36' ' ' TYR . 42.2 mt -57.91 -58.71 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -46.95 -44.17 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -64.6 -36.14 83.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.57 -34.31 1.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 98.1 m-85 -56.13 96.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' C ' HD13 ' A' ' 15' ' ' ILE . 15.2 mt-10 -96.05 -46.83 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.412 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 72.7 p -129.58 167.38 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.621 HD11 HD13 ' A' ' 71' ' ' LEU . 8.3 mt -43.5 -43.92 5.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -41.17 -42.28 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 13.8 m-20 -69.51 -34.78 74.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.721 ' O ' HG22 ' A' ' 45' ' ' ILE . 57.6 mt -70.14 -22.22 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -59.05 -21.26 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.02 28.75 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.1 tt -99.23 144.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -128.52 154.44 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -39.75 -40.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -61.54 -51.51 68.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -42.81 -54.42 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.076 HD22 HD13 ' A' ' 64' ' ' LEU . 39.2 mt -49.35 -49.85 42.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.5 mt -51.85 -52.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.79 -21.06 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.589 ' O ' HG21 ' A' ' 30' ' ' THR . 89.5 mt -85.54 19.69 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 t30 73.6 25.02 2.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 57' ' ' ASP . 7.7 mt -109.47 29.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -38.56 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -74.0 129.68 84.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.15 3.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -44.51 -33.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.504 ' OD1' HD11 ' A' ' 24' ' ' LEU . 36.3 m-20 -88.5 -45.19 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.957 ' HA ' HD13 ' A' ' 50' ' ' LEU . 74.7 mtm-85 -53.61 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.07 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 39.1 mtt-85 -58.16 -35.96 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.076 HD13 HD22 ' A' ' 50' ' ' LEU . 2.4 tt -71.59 -39.83 70.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.66 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.3 mt -77.25 -63.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.5 m -50.1 -18.69 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -86.4 -55.05 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.698 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -60.4 -30.58 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 70' ' ' SER . 16.5 pt-20 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -57.36 -32.06 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 68' ' ' ALA . 12.3 mt -73.21 -58.06 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 73' ' ' SER . 17.7 mt -64.25 -56.43 14.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 72' ' ' LEU . 7.0 t -34.57 -53.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.9 88.04 0.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -11.85 31.65 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.7 m -74.36 94.54 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 m -73.48 116.06 13.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -149.76 131.66 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.883 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -106.29 139.33 40.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.66 -45.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -119.87 141.73 49.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -53.85 134.27 42.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.08 -101.39 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.421 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -118.52 105.69 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -85.43 174.32 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -66.12 109.83 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -122.8 -179.37 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -130.88 152.8 49.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 14' ' ' THR . 3.4 tp-100 -104.06 139.64 38.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.466 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 4.4 t -97.56 135.94 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.579 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.3 mp -41.47 -46.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' CD ' HG21 ' A' ' 28' ' ' THR . 30.7 mm-40 -44.55 -69.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' H ' HG23 ' A' ' 14' ' ' THR . 53.8 mm-40 -61.6 -35.57 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.468 ' HD1' HD11 ' A' ' 71' ' ' LEU . 2.1 t80 -61.13 -30.74 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' CD1' ' A' ' 31' ' ' LEU . 75.5 mt -84.86 -40.13 17.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -48.92 -42.95 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.656 HH11 HG23 ' A' ' 22' ' ' ILE . 4.4 ptm180 -57.8 -40.45 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.079 HD12 HD12 ' A' ' 24' ' ' LEU . 10.3 pt -95.41 8.73 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 54.53 41.74 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.079 HD12 HD12 ' A' ' 22' ' ' ILE . 28.1 mt -117.42 20.04 13.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.45 -12.84 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.1 pt-20 -69.14 -21.18 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 94.8 m-85 -97.93 -5.34 34.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.406 HG21 ' CD ' ' A' ' 16' ' ' GLN . 26.8 m -42.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' HD13 ' A' ' 33' ' ' LEU . 63.9 p -41.65 -47.55 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.457 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 29.9 m -57.54 -39.45 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.761 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.7 mt -73.32 -47.7 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 36' ' ' TYR . 49.9 mt -62.94 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 29' ' ' SER . 10.1 mp -44.88 -35.58 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -74.12 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.49 -35.31 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.476 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.8 m-85 -55.58 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.936 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.579 ' C ' HD13 ' A' ' 15' ' ' ILE . 16.1 mt-10 -98.95 -43.52 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 76.2 p -131.21 167.18 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 71' ' ' LEU . 4.5 mt -48.44 -38.98 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.01 -28.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.23 -40.57 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.766 ' O ' HG22 ' A' ' 45' ' ' ILE . 62.3 mt -62.87 -27.38 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.735 ' HA ' HD13 ' A' ' 72' ' ' LEU . 7.6 ptmt -55.87 -17.32 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -117.03 29.7 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.8 tt -104.05 144.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.65 158.67 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' CG ' ' HE ' ' A' ' 61' ' ' ARG . 45.2 tt0 -42.03 -43.46 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 51' ' ' ILE . 89.1 p -56.78 -54.81 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -40.6 -57.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.716 HD13 ' HA ' ' A' ' 61' ' ' ARG . 15.8 mt -49.53 -52.98 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.42 HG12 ' NH1' ' A' ' 61' ' ' ARG . 74.0 mt -46.73 -53.47 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.88 -22.63 67.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' HG21 ' A' ' 30' ' ' THR . 88.9 mt -84.48 19.01 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 74.92 24.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 50' ' ' LEU . 4.8 mt -110.36 31.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.184 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.69 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.1 t70 -73.98 133.24 79.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -48.06 -34.93 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -83.35 -45.98 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.716 ' HA ' HD13 ' A' ' 50' ' ' LEU . 71.2 mtm-85 -59.51 -58.99 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.9 -55.65 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 52.6 mtt-85 -53.69 -38.34 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.412 HD13 HD22 ' A' ' 50' ' ' LEU . 1.2 tt -67.87 -49.45 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.88 -60.37 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -52.75 -16.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -86.63 -52.99 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -63.37 -35.74 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.528 ' CG ' ' N ' ' A' ' 70' ' ' SER . 4.7 pt-20 -60.37 -50.22 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.4 t -55.89 -40.69 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 39' ' ' LEU . 6.9 mt -70.38 -63.34 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 43' ' ' LYS . 4.2 mt -70.38 165.1 23.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.8 p -106.77 39.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.78 84.97 0.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.2 28.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.6 p -131.48 123.15 27.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.6 p 42.44 44.12 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -93.89 93.04 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -99.48 173.81 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.62 133.47 5.94 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.433 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -101.22 90.83 4.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -69.18 -47.27 65.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.4 162.92 31.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -95.08 31.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -158.43 147.64 19.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 15.6 pt-20 -72.96 -0.57 14.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' GLU . 15.8 m-80 35.01 34.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 10' ' ' GLU . 63.3 m170 -77.93 128.46 33.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 14' ' ' THR . 2.8 tp-100 -91.66 137.35 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.493 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 10.1 t -98.46 132.56 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.562 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -37.21 -57.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.582 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 2.5 mp0 -34.92 -70.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' H ' HG23 ' A' ' 14' ' ' THR . 73.9 mm-40 -60.58 -42.01 95.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.2 t80 -54.43 -28.77 46.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 HD11 ' A' ' 22' ' ' ILE . 96.7 mt -86.01 -37.75 18.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.89 -33.04 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -68.74 -39.93 80.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.031 HD12 HD12 ' A' ' 24' ' ' LEU . 11.6 pt -94.42 7.88 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 54.69 35.36 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 22' ' ' ILE . 44.5 mt -115.06 16.89 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.13 -12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 12.0 pt-20 -67.48 -10.07 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 93.4 m-85 -108.85 0.63 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 32' ' ' LEU . 84.7 m -45.62 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -39.88 -49.46 2.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 53' ' ' LEU . 6.5 m -55.83 -38.69 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.586 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.4 mt -74.9 -48.07 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 36' ' ' TYR . 32.7 mt -62.13 -60.61 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -45.65 -37.23 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -71.54 -38.01 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 -32.15 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.48 ' O ' HD23 ' A' ' 32' ' ' LEU . 93.8 m-85 -60.48 97.72 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.367 . . . . 0.0 110.927 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.562 ' C ' HD13 ' A' ' 15' ' ' ILE . 43.6 mt-10 -96.97 -44.86 6.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -133.25 168.07 19.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.755 HD11 HD13 ' A' ' 71' ' ' LEU . 5.6 mt -47.12 -36.34 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 14.7 t70 -46.02 -33.5 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.62 -36.24 22.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.815 ' O ' HG22 ' A' ' 45' ' ' ILE . 41.4 mt -61.55 -34.24 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -55.06 -14.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -115.26 25.83 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.1 tt -103.51 144.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -127.3 156.24 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -39.71 -40.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 51' ' ' ILE . 84.3 p -60.72 -51.99 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.441 ' CD2' ' OH ' ' A' ' 36' ' ' TYR . 51.8 m80 -43.03 -55.2 3.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.988 HD13 ' HA ' ' A' ' 61' ' ' ARG . 26.9 mt -48.45 -48.58 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.437 HG12 ' NH1' ' A' ' 61' ' ' ARG . 71.2 mt -52.24 -52.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.3 -20.5 64.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' HG21 ' A' ' 30' ' ' THR . 86.6 mt -89.54 23.85 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m120 68.71 24.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -106.29 27.35 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.66 -24.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -73.9 131.59 81.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.841 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.53 10.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.6 -42.92 35.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 32.5 m-20 -78.65 -47.96 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.988 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.8 mtm-85 -54.4 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 65' ' ' LEU . . . -43.39 -58.24 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -53.89 -49.91 67.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.88 HD13 HD22 ' A' ' 50' ' ' LEU . 1.5 tt -56.04 -35.12 66.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 62' ' ' ALA . 9.6 mt -74.68 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.6 t -59.02 -18.09 31.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.68 -57.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -60.4 -33.67 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 70' ' ' SER . 11.9 pt-20 -65.04 -49.27 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.51 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.73 -42.74 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.755 HD13 HD11 ' A' ' 39' ' ' LEU . 7.6 mt -68.59 -63.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 43' ' ' LYS . 9.0 mt -71.25 -66.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.1 t -85.75 70.4 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.9 -159.92 11.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 124.26 10.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.6 t -68.98 -44.74 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.6 t -39.92 -61.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t 52.94 42.26 32.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -77.04 82.61 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.4 -88.93 0.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -119.91 162.37 19.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -139.29 173.01 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 144.42 -134.26 5.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.7 tmm_? 35.23 54.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -179.61 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.61 152.84 43.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -64.96 179.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -135.1 146.95 49.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.0 tp-100 -107.29 141.29 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 17' ' ' GLU . 11.0 t -99.48 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.668 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -53.17 -44.36 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 -43.72 -68.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' H ' HG23 ' A' ' 14' ' ' THR . 14.0 mt-10 -66.32 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' HD1' HD11 ' A' ' 71' ' ' LEU . 1.9 t80 -54.26 -26.33 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.759 HD23 HD11 ' A' ' 22' ' ' ILE . 86.5 mt -90.41 -40.39 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 10.2 mt-10 -51.38 -23.16 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 1.7 ptp180 -79.41 -38.26 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.813 HD12 HD12 ' A' ' 24' ' ' LEU . 6.1 pt -94.64 8.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 55.4 33.45 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 22' ' ' ILE . 19.1 mt -116.3 25.16 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -67.19 -7.77 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.5 pt-20 -71.9 -12.32 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.5 m-85 -106.3 -8.06 17.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.547 HG22 ' CD1' ' A' ' 32' ' ' LEU . 89.4 m -38.18 -71.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.423 ' O ' HD13 ' A' ' 33' ' ' LEU . 11.6 p -39.95 -50.04 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 53' ' ' LEU . 52.7 m -55.5 -36.43 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.544 ' CD1' HD11 ' A' ' 19' ' ' LEU . 11.6 mt -77.86 -52.2 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' CD1' HG22 ' A' ' 28' ' ' THR . 19.7 mt -57.2 -57.97 10.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 29' ' ' SER . 9.0 mp -48.35 -41.96 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -28.65 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 -38.53 1.64 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.4 ' O ' HD23 ' A' ' 32' ' ' LEU . 78.6 m-85 -57.7 100.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.668 ' C ' HD13 ' A' ' 15' ' ' ILE . 25.7 mt-10 -110.96 -31.64 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.494 ' N ' HD13 ' A' ' 15' ' ' ILE . 34.9 p -132.16 156.48 46.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.906 HD11 HD13 ' A' ' 71' ' ' LEU . 9.3 mt -43.7 -45.81 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.26 -38.66 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.25 -34.45 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.998 ' O ' HG22 ' A' ' 45' ' ' ILE . 27.3 mt -65.52 -21.32 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 6.8 ptmt -67.26 -11.95 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.37 -2.46 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.998 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.5 tt -84.81 148.24 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 172.15 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -50.41 -49.89 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -49.33 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.419 ' CB ' HG13 ' A' ' 45' ' ' ILE . 41.5 m80 -45.37 -55.98 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 61' ' ' ARG . 23.8 mt -50.58 -51.11 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.433 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 62.8 mt -47.94 -50.06 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.39 -20.9 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' O ' HG21 ' A' ' 30' ' ' THR . 95.5 mt -87.56 21.5 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.65 26.86 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' A' ' 50' ' ' LEU . 8.2 mt -113.09 30.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.12 -22.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' ILE . 4.6 m-20 -75.44 131.73 77.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.85 15.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -52.27 -46.82 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.6 m-20 -74.84 -48.62 24.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.759 ' HA ' HD13 ' A' ' 50' ' ' LEU . 60.1 mtm-85 -52.7 -59.7 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.21 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -56.38 -26.72 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.447 HD13 HD22 ' A' ' 50' ' ' LEU . 1.6 tt -83.45 -34.24 25.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.13 -55.88 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.3 m -59.96 -17.69 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.82 -53.55 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -63.19 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.1 pt-20 -66.07 -48.96 69.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.498 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.5 t -55.89 -39.7 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.906 HD13 HD11 ' A' ' 39' ' ' LEU . 8.4 mt -71.94 -69.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 97.1 mt -48.31 -36.19 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 t -91.72 59.18 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.81 85.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 103.66 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -109.42 128.13 54.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m 45.44 45.28 10.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.533 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p -40.98 -61.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -97.3 173.31 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.52 42.13 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -89.82 132.16 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -96.34 41.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.7 95.52 1.89 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -82.95 83.83 7.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -117.62 -177.24 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -122.74 108.74 13.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -58.05 155.7 10.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -123.65 145.3 49.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -106.21 139.2 41.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.8 t -90.86 146.52 23.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.84 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -57.29 -51.22 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -41.65 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 14' ' ' THR . 27.4 mt-10 -65.3 -43.12 92.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CD1' HD11 ' A' ' 71' ' ' LEU . 1.4 t80 -51.36 -36.28 42.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 31' ' ' LEU . 91.1 mt -79.29 -35.76 40.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.36 -35.92 20.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 7.6 ptm180 -63.4 -48.09 79.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.665 ' CG1' HD23 ' A' ' 24' ' ' LEU . 9.9 pt -91.07 1.83 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 21.1 m-70 63.66 38.09 9.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD23 ' CG1' ' A' ' 22' ' ' ILE . 3.8 mm? -107.7 10.16 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 26.7 pt20 -53.94 -18.54 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 17.5 pt-20 -65.95 -8.51 23.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 98.0 m-85 -110.43 -1.33 17.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.428 HG22 ' CD1' ' A' ' 32' ' ' LEU . 89.5 m -42.59 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 m -41.52 -49.39 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 53' ' ' LEU . 29.6 m -54.59 -36.39 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -78.67 -49.63 12.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD1' HG22 ' A' ' 28' ' ' THR . 51.9 mt -58.54 -59.01 6.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mp -47.11 -37.65 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -71.74 -30.36 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.67 -28.53 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -62.79 94.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' HD13 ' A' ' 15' ' ' ILE . 21.1 mt-10 -96.77 -39.59 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -134.19 164.26 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.852 HD11 ' CD1' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -47.05 -44.31 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.96 -33.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.48 -39.31 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 15' ' ' ILE . 26.0 mt -61.3 -21.02 63.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HA ' HD13 ' A' ' 72' ' ' LEU . 10.0 ptmt -60.7 -9.68 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.18 -18.61 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.0 tt -63.18 139.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -128.17 178.49 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -51.29 -46.82 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 p -59.7 -55.24 36.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' CB ' HG13 ' A' ' 45' ' ' ILE . 67.3 m80 -41.04 -56.49 2.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.067 HD22 HD13 ' A' ' 64' ' ' LEU . 29.2 mt -48.54 -48.75 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.4 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 66.5 mt -52.58 -50.06 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -66.71 -20.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.668 ' O ' HG21 ' A' ' 30' ' ' THR . 95.2 mt -87.77 21.66 2.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 74.62 26.19 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 60' ' ' ASP . 9.9 mt -112.9 30.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.57 -22.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -76.85 133.07 70.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -32.12 19.36 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -53.33 -49.51 66.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.513 ' HB2' HG23 ' A' ' 55' ' ' ILE . 29.8 m-20 -72.83 -49.18 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.933 ' HA ' HD13 ' A' ' 50' ' ' LEU . 67.3 mtm-85 -48.94 -59.38 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.89 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -53.35 -39.17 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.067 HD13 HD22 ' A' ' 50' ' ' LEU . 1.8 tt -68.34 -56.27 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.1 mt -59.49 -68.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -39.29 -43.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.18 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.41 65.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -51.56 -34.53 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -68.34 -48.24 65.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.852 ' CD1' HD11 ' A' ' 39' ' ' LEU . 13.2 mt -62.6 -51.35 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 43' ' ' LYS . 13.8 mt -80.05 154.63 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -101.88 48.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.06 146.18 16.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 146.6 60.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.395 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.7 m -111.71 35.43 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.4 p -79.78 147.56 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -102.58 133.61 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -135.96 140.41 43.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.55 102.94 2.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -131.62 90.28 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m -123.34 158.29 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.62 85.31 1.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 5.3 ptp180 -146.59 133.94 20.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.97 130.08 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -64.4 100.77 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -98.12 -179.22 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -136.5 147.51 47.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.4 tp-100 -96.58 142.61 28.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.5 t -105.72 126.57 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.742 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -34.51 -60.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' N ' HG22 ' A' ' 15' ' ' ILE . 15.0 mt-30 -33.74 -63.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' H ' HG23 ' A' ' 14' ' ' THR . 3.9 mm-40 -66.51 -46.39 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.701 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.1 t80 -50.53 -24.83 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 31' ' ' LEU . 86.4 mt -89.2 -41.94 11.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -48.43 -35.73 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.644 ' NH1' HD21 ' A' ' 71' ' ' LEU . 11.3 ptp180 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.478 HG23 ' HG3' ' A' ' 21' ' ' ARG . 28.6 pt -90.99 -0.26 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' LEU . 2.9 m-70 64.77 46.73 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.496 HD12 ' CD2' ' A' ' 27' ' ' TYR . 4.3 mm? -121.17 13.1 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -56.44 -13.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.58 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 8.0 pt-20 -70.28 -9.1 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.58 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.7 m-85 -109.96 -9.25 14.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 32' ' ' LEU . 20.9 m -36.33 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -42.42 -50.98 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.606 HG21 ' O ' ' A' ' 53' ' ' LEU . 64.1 m -54.0 -38.59 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.5 mt -74.95 -54.59 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 28' ' ' THR . 39.1 mt -55.54 -58.73 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.17 -41.09 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.31 -31.84 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.94 -37.42 1.59 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 99.3 m-85 -53.65 91.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' C ' HD13 ' A' ' 15' ' ' ILE . 37.8 mt-10 -93.62 -43.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -132.21 167.54 19.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.842 HD11 HD13 ' A' ' 71' ' ' LEU . 6.4 mt -47.11 -38.13 10.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -45.19 -35.28 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 5.3 m-20 -80.37 -37.04 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 45' ' ' ILE . 46.9 mt -65.69 -32.91 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -52.92 -17.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.53 30.16 7.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.2 tt -104.1 147.47 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -127.74 152.25 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -39.46 -39.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.2 m -61.84 -51.94 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -42.32 -54.18 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.063 HD22 HD13 ' A' ' 64' ' ' LEU . 38.4 mt -49.28 -49.99 41.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 48' ' ' SER . 71.4 mt -49.98 -52.3 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -22.24 66.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.606 ' O ' HG21 ' A' ' 30' ' ' THR . 91.8 mt -83.66 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 75.04 25.43 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 55' ' ' ILE . 13.8 mt -108.3 29.69 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -37.69 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.8 m-20 -74.17 129.2 84.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -36.71 10.12 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.284 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -47.32 -39.81 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.0 m-20 -82.59 -46.87 12.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.938 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.3 mtm-85 -51.23 -55.48 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.06 49.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -55.48 -38.91 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.063 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -68.21 -48.07 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.577 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.7 mt -68.52 -66.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -39.9 -39.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' ' 22' ' ' ILE . . . -66.99 -56.52 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.639 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -55.6 -37.81 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.63 -48.23 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -58.71 -48.3 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.842 HD13 HD11 ' A' ' 39' ' ' LEU . 11.4 mt -56.96 -50.85 71.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.23 174.14 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.9 p -71.26 -46.63 60.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.59 145.96 5.43 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -3.63 12.41 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.9 p -42.74 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.9 t -132.88 115.71 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 p -75.21 -31.27 60.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -120.82 36.46 4.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.36 141.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -130.18 123.4 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -109.02 -58.14 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.88 121.21 1.33 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -49.28 124.85 9.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' GLU . 35.9 mmt180 -139.82 175.59 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -35.08 147.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -106.12 156.2 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.401 ' CE1' ' HG2' ' A' ' 10' ' ' GLU . 26.4 m80 -136.74 137.41 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.5 tp-100 -94.54 135.23 36.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 17' ' ' GLU . 11.5 t -98.92 130.2 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 16' ' ' GLN . 1.4 mp -36.65 -58.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' N ' HG22 ' A' ' 15' ' ' ILE . 8.7 mt-30 -34.47 -63.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' H ' HG23 ' A' ' 14' ' ' THR . 56.9 mt-10 -66.18 -46.4 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.749 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.4 t80 -51.18 -25.93 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' ILE . 79.6 mt -88.51 -38.64 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -51.87 -29.8 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -75.41 -34.92 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 19' ' ' LEU . 6.7 pt -95.33 5.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 55.66 39.28 30.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 22' ' ' ILE . 33.5 mt -124.99 19.82 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 2.6 pm0 -58.09 -14.14 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -16.43 63.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.598 ' CE1' ' OD2' ' A' ' 60' ' ' ASP . 78.6 m-85 -99.19 0.15 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 90.1 m -47.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -46.26 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.52 HG21 ' O ' ' A' ' 53' ' ' LEU . 30.7 m -58.42 -38.91 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 mt -75.87 -48.08 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 36' ' ' TYR . 62.6 mt -61.65 -58.62 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -47.48 -38.64 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.3 m-80 -71.5 -31.18 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.99 -34.99 1.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.588 ' CE1' HD12 ' A' ' 45' ' ' ILE . 96.8 m-85 -57.22 95.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' HD13 ' A' ' 15' ' ' ILE . 32.6 mt-10 -95.89 -45.88 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -131.1 168.72 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.841 HD11 HD13 ' A' ' 71' ' ' LEU . 5.4 mt -48.03 -43.05 29.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.38 -33.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -39.78 23.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.735 ' O ' HG22 ' A' ' 45' ' ' ILE . 72.5 mt -61.56 -33.1 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -54.3 -16.2 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.16 28.64 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.735 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.5 tt -103.37 145.8 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.28 157.04 39.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -41.56 -42.58 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.61 ' HA ' HD12 ' A' ' 51' ' ' ILE . 13.9 m -59.0 -54.86 42.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.5 m-70 -40.61 -52.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 61' ' ' ARG . 54.0 mt -52.78 -52.8 55.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 48' ' ' SER . 62.4 mt -46.86 -52.21 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.47 -22.96 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.52 ' O ' HG21 ' A' ' 30' ' ' THR . 85.0 mt -83.35 17.22 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 74.99 25.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.567 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.9 mt -105.25 29.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.56 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.2 m-20 -77.68 129.76 75.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.24 27.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.68 -42.13 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.598 ' OD2' ' CE1' ' A' ' 27' ' ' TYR . 40.2 t0 -81.76 -46.72 13.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.901 ' HA ' HD13 ' A' ' 50' ' ' LEU . 74.5 mtm-85 -53.06 -49.47 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.93 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -57.55 -29.45 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.843 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -78.55 -46.98 18.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.24 -57.37 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -51.54 -47.55 63.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.79 -54.87 39.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.593 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -56.36 -38.63 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.89 -48.8 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -56.68 -48.13 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.841 HD13 HD11 ' A' ' 39' ' ' LEU . 9.1 mt -59.25 -56.23 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.62 169.83 17.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.3 m -132.36 46.75 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.04 145.74 19.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -3.18 11.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.8 m -70.61 107.99 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.4 p -109.0 117.07 33.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.525 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -74.68 103.02 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -93.66 148.98 21.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.16 -66.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -121.27 139.62 53.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -157.28 137.68 12.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.35 -63.84 4.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -132.54 139.03 47.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -112.1 163.01 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -72.09 168.45 18.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -46.64 151.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -127.52 138.5 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 -96.83 130.88 44.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -94.02 130.68 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.607 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -35.95 -56.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HG3' HG21 ' A' ' 28' ' ' THR . 1.6 mp0 -35.53 -71.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' H ' HG23 ' A' ' 14' ' ' THR . 41.2 mt-10 -59.27 -41.0 87.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.624 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.3 t80 -56.36 -26.27 52.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 31' ' ' LEU . 89.6 mt -90.8 -39.47 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -51.19 -29.32 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.601 HH11 HG23 ' A' ' 22' ' ' ILE . 4.6 ptm180 -72.99 -38.3 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.928 HD12 HD12 ' A' ' 24' ' ' LEU . 6.5 pt -96.28 7.15 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 57.47 38.76 28.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.928 HD12 HD12 ' A' ' 22' ' ' ILE . 14.2 mt -117.22 19.32 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -60.24 -18.86 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 27' ' ' TYR . 17.4 pt-20 -62.66 -8.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CD1' ' HG3' ' A' ' 26' ' ' GLU . 96.1 m-85 -110.02 -9.27 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.495 HG21 ' HG3' ' A' ' 16' ' ' GLN . 25.8 m -37.41 -67.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -46.56 -50.25 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.604 HG21 ' O ' ' A' ' 53' ' ' LEU . 61.2 m -52.88 -38.11 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.5 mt -75.75 -51.11 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 36' ' ' TYR . 60.6 mt -58.0 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 mp -46.59 -39.34 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -70.19 -28.13 65.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 136.45 -31.58 2.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.474 ' O ' HD23 ' A' ' 32' ' ' LEU . 85.2 m-85 -61.85 97.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.519 ' C ' HD13 ' A' ' 15' ' ' ILE . 49.6 mt-10 -99.44 -42.03 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 36.5 p -129.49 165.28 21.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.853 HD11 HD13 ' A' ' 71' ' ' LEU . 8.8 mt -46.67 -44.63 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -40.85 -33.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.6 -32.87 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.747 ' O ' HG22 ' A' ' 45' ' ' ILE . 29.8 mt -67.11 -30.0 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -58.13 -12.26 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -107.06 -11.59 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.747 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.0 tt -73.46 143.0 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -128.1 -179.44 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -55.69 -46.99 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.401 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.6 p -58.46 -55.8 30.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -39.97 -57.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.052 HD22 HD13 ' A' ' 64' ' ' LEU . 32.9 mt -48.09 -50.08 29.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 48' ' ' SER . 68.5 mt -51.35 -51.09 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -65.61 -21.13 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.604 ' O ' HG21 ' A' ' 30' ' ' THR . 94.2 mt -86.03 19.76 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 75.0 26.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 8.1 mt -111.54 30.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.47 -24.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -74.74 129.55 83.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -30.48 22.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.13 -49.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 5.3 m-20 -74.11 -48.58 28.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.933 ' HA ' HD13 ' A' ' 50' ' ' LEU . 62.5 mtm-85 -47.52 -55.6 8.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.95 -52.41 65.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.052 HD13 HD22 ' A' ' 50' ' ' LEU . 2.0 tt -76.28 -49.78 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.4 mt -67.36 -65.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -43.66 -40.61 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.21 -57.91 8.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -50.6 -53.99 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -54.64 -26.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -76.98 -19.35 57.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.853 HD13 HD11 ' A' ' 39' ' ' LEU . 5.2 mt -95.52 -47.2 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -106.27 163.54 12.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -63.35 -52.55 61.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.27 161.57 9.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.12 3.84 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 69.49 39.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -67.34 127.0 31.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -149.73 137.75 20.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -130.13 96.96 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.22 81.11 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -80.75 128.21 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -144.98 119.62 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.7 74.76 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -139.26 148.7 43.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 10' ' ' GLU . 35.0 ptt-85 -84.21 176.77 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 9' ' ' ARG . 49.3 mt-10 32.01 54.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.08 157.0 16.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -99.66 143.07 30.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.6 tp-100 -87.06 132.01 33.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 17' ' ' GLU . 8.8 t -90.83 144.61 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.599 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -50.36 -50.35 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' CD ' ' H ' ' A' ' 16' ' ' GLN . 1.2 mp0 -41.0 -70.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' H ' HG23 ' A' ' 14' ' ' THR . 43.0 mm-40 -61.49 -38.84 88.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.5 t80 -57.41 -28.56 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.889 HD23 HD11 ' A' ' 22' ' ' ILE . 86.5 mt -87.55 -39.82 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.92 -37.41 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -68.71 -41.33 79.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.955 HD12 HD12 ' A' ' 24' ' ' LEU . 16.4 pt -89.57 4.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 57.74 44.22 20.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.955 HD12 HD12 ' A' ' 22' ' ' ILE . 26.7 mt -127.69 18.54 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 14.6 pt20 -59.28 -10.91 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.9 -16.38 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.494 ' CE2' HG12 ' A' ' 55' ' ' ILE . 85.2 m-85 -99.6 -4.56 30.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.2 m -42.55 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.163 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 33' ' ' LEU . 24.5 p -40.14 -47.79 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.432 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 54.0 m -57.02 -38.57 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.58 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -75.7 -49.06 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 36' ' ' TYR . 52.0 mt -60.36 -59.9 4.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 29' ' ' SER . 6.6 mp -45.96 -40.82 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -68.28 -35.77 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 -34.66 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.446 ' O ' HD23 ' A' ' 32' ' ' LEU . 91.4 m-85 -57.61 106.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' C ' HD13 ' A' ' 15' ' ' ILE . 28.2 mt-10 -105.18 -42.09 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.4 p -134.23 165.65 24.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.872 HD11 HD13 ' A' ' 71' ' ' LEU . 7.7 mt -43.92 -44.57 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -40.15 -36.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.73 -39.91 35.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 39' ' ' LEU . 77.8 mt -60.16 -34.54 73.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CB ' HD13 ' A' ' 72' ' ' LEU . 7.9 ptmt -51.75 -16.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -102.81 -18.94 14.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.802 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 42' ' ' LEU . 3.7 tt -63.9 141.05 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.97 172.33 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -48.53 -43.5 35.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.442 ' HA ' HD12 ' A' ' 51' ' ' ILE . 43.5 p -63.09 -55.59 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -40.17 -55.51 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.943 HD13 ' HA ' ' A' ' 61' ' ' ARG . 41.2 mt -49.23 -51.11 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 48' ' ' SER . 72.1 mt -48.71 -55.09 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -59.44 -21.26 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.15 26.09 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 m120 67.62 25.05 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 50' ' ' LEU . 7.0 mt -108.59 27.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.46 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 14.6 m-20 -74.04 131.98 80.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.7 8.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.11 -41.21 48.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.2 m-20 -80.9 -47.46 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.943 ' HA ' HD13 ' A' ' 50' ' ' LEU . 64.1 mtm-85 -52.18 -56.88 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.94 50.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -56.89 -30.45 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.868 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -79.18 -38.08 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.556 ' HG ' HD11 ' A' ' 50' ' ' LEU . 6.3 mt -76.1 -64.08 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -45.75 -35.71 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.47 -58.12 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -55.39 -36.62 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 73' ' ' SER . 3.9 mm-40 -62.7 -46.34 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 t -62.11 -45.9 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 HD11 ' A' ' 39' ' ' LEU . 8.6 mt -64.0 -55.35 23.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.501 HD13 ' CB ' ' A' ' 43' ' ' LYS . 6.6 mt -73.58 -61.01 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.8 t -79.04 47.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.64 145.38 14.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 162.7 41.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.33 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -83.45 112.75 20.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -105.65 -57.73 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.5 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 t -68.4 -45.34 72.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.356 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 t -147.84 158.95 44.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.08 -154.94 2.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -161.56 175.35 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -77.1 105.38 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.63 162.66 22.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -171.12 159.1 5.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.32 15.83 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.06 158.05 20.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -57.48 -179.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -135.73 152.48 51.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.796 ' HB3' HD22 ' A' ' 39' ' ' LEU . 8.7 tp-100 -111.82 147.32 35.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.741 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.5 t -100.88 148.72 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.525 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -63.72 -38.23 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.62 ' H ' ' NE2' ' A' ' 16' ' ' GLN . 1.1 mp0 -53.33 -56.15 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.741 ' H ' HG23 ' A' ' 14' ' ' THR . 48.0 mt-10 -73.31 -34.29 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.715 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.0 t80 -63.49 -29.09 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.787 HD23 HD11 ' A' ' 22' ' ' ILE . 91.5 mt -86.78 -43.56 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.91 -36.79 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.432 ' NH1' HD21 ' A' ' 71' ' ' LEU . 9.4 ptp180 -67.82 -43.48 79.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.787 HD11 HD23 ' A' ' 19' ' ' LEU . 6.5 pt -88.1 2.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 59.77 42.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 60' ' ' ASP . 10.8 mt -125.75 23.09 7.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -61.99 -14.2 32.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.531 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.4 pt-20 -67.42 -10.69 53.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.531 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.4 m-85 -107.5 -1.51 21.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.517 HG22 ' CD1' ' A' ' 32' ' ' LEU . 89.9 m -45.44 -70.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 p -42.83 -50.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 24.6 m -53.42 -32.88 51.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.523 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -82.41 -49.27 10.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 28' ' ' THR . 30.2 mt -60.75 -60.6 3.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.07 -34.64 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -74.74 -33.22 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.52 -20.61 2.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 32' ' ' LEU . 99.1 m-85 -71.96 95.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' C ' HD13 ' A' ' 15' ' ' ILE . 40.6 mt-10 -94.73 -43.95 8.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' LEU . 73.1 p -134.43 157.06 47.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.114 HD21 HD13 ' A' ' 71' ' ' LEU . 10.8 mp -36.46 -41.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 10.1 t70 -38.11 -47.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.25 -36.27 63.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.038 ' O ' HG22 ' A' ' 45' ' ' ILE . 28.8 mt -57.9 -29.37 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 7.8 ptmt -59.41 -11.05 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -108.36 -11.46 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 1.038 HG22 ' O ' ' A' ' 42' ' ' LEU . 7.7 tt -75.15 148.5 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -131.43 -177.35 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -61.35 -49.39 77.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.9 p -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -51.21 -56.21 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.977 HD13 ' HA ' ' A' ' 61' ' ' ARG . 29.6 mt -50.35 -48.47 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.424 HG12 ' NH1' ' A' ' 61' ' ' ARG . 77.5 mt -53.48 -47.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.0 -23.32 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' CD2' ' OD1' ' A' ' 34' ' ' ASN . 95.5 mt -83.82 17.6 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 t30 74.97 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.54 HG22 ' O ' ' A' ' 55' ' ' ILE . 14.1 mt -105.69 29.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.66 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -73.89 127.62 87.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -36.41 10.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -47.69 -38.68 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.585 ' HA ' HD11 ' A' ' 24' ' ' LEU . 6.5 m-20 -82.72 -47.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.977 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.7 mtm-85 -52.75 -55.11 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.15 61.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.051 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -56.56 -28.65 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.817 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.1 tt -80.29 -46.91 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -68.29 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -45.56 -41.98 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.21 38.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.78 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.73 -46.98 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 73' ' ' SER . 79.5 mt-10 -48.35 -52.62 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -55.1 -44.75 75.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.114 HD13 HD21 ' A' ' 39' ' ' LEU . 7.3 mt -64.66 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.99 -66.49 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' GLU . 2.6 t -76.95 80.03 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.36 85.93 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 171.93 13.56 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 t -118.73 102.65 8.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -82.17 -49.94 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -102.16 122.28 43.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -157.42 162.56 39.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.7 -111.31 0.4 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -113.49 -51.08 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -55.04 166.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.34 134.21 26.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -96.58 44.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.24 156.25 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -118.79 145.93 45.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -69.6 176.31 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -124.31 139.95 53.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.583 ' HG2' HD13 ' A' ' 71' ' ' LEU . 6.3 tp60 -102.46 133.07 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -88.59 139.23 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.5 mp -52.29 -55.28 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' ILE . 23.4 mp0 -35.84 -61.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' N ' ' CD ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -67.81 -49.68 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.8 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.4 t80 -47.2 -28.55 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 22' ' ' ILE . 93.8 mt -86.32 -37.87 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -54.34 -32.05 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -74.02 -33.43 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 19' ' ' LEU . 6.9 pt -96.82 7.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 52.5 39.89 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD12 HD12 ' A' ' 22' ' ' ILE . 21.2 mt -123.07 18.11 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -57.63 -13.13 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.68 -11.23 24.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.67 -1.87 16.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.9 m -45.07 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.8 p -42.98 -50.66 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.487 HG21 ' O ' ' A' ' 53' ' ' LEU . 15.4 m -54.58 -31.44 56.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 19' ' ' LEU . 11.5 mt -82.69 -51.24 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 36' ' ' TYR . 49.1 mt -59.22 -58.16 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -47.31 -32.62 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -77.88 -28.36 49.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.64 -26.89 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.543 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.1 m-85 -61.46 89.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.8 -41.53 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -134.07 161.17 35.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.749 HD11 HD12 ' A' ' 71' ' ' LEU . 1.6 mm? -46.95 -39.87 13.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 5.8 m-20 -39.45 -33.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.84 -40.05 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.641 ' O ' HG22 ' A' ' 45' ' ' ILE . 78.9 mt -57.22 -31.18 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt -50.23 -18.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -116.31 32.4 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.1 tt -107.47 134.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -114.49 157.66 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.2 -44.91 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.9 p -56.02 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -38.36 -52.73 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.991 ' CD2' HD13 ' A' ' 64' ' ' LEU . 42.4 mt -53.41 -50.17 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.427 HG12 ' NH1' ' A' ' 61' ' ' ARG . 72.8 mt -50.47 -53.38 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.73 -23.57 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.487 ' O ' HG21 ' A' ' 30' ' ' THR . 84.8 mt -83.86 17.9 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.73 25.05 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 55' ' ' ILE . 10.4 mt -107.02 29.45 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.83 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.6 m-20 -73.91 129.63 84.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.45 6.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.49 -38.85 14.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.496 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.8 m-20 -82.24 -47.14 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.941 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.2 mtm-85 -51.52 -54.0 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -52.0 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -57.25 -28.57 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.991 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.2 tt -80.83 -46.44 15.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.632 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.6 mt -70.42 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -45.92 -44.88 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.2 -54.87 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.57 -38.31 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.32 -39.06 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.8 HD11 ' CD1' ' A' ' 18' ' ' PHE . 17.5 mt -63.41 -60.05 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' SER . 29.4 mt -56.48 -61.61 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' LEU . 82.9 p 36.61 47.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.44 -95.44 0.72 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 120.78 7.51 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.643 2.228 . . . . 0.0 112.385 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.0 t -101.1 34.8 2.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 m -61.35 152.76 28.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.873 0.368 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.776 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -94.35 154.27 17.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.504 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -62.52 -41.41 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -53.64 -42.88 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.776 ' H ' HG23 ' A' ' 14' ' ' THR . 48.4 mt-10 -84.24 -34.04 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.754 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.6 t80 -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 31' ' ' LEU . 93.8 mt -87.57 -39.61 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.524 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 39.6 mm-40 -53.58 -37.06 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -65.48 -37.3 86.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.012 HD12 HD12 ' A' ' 24' ' ' LEU . 6.9 pt -98.04 8.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 53.65 40.36 31.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 22' ' ' ILE . 33.5 mt -120.48 17.59 12.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.524 ' NE2' ' CD ' ' A' ' 20' ' ' GLU . 17.1 pt20 -58.1 -13.5 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 10.2 pt-20 -65.41 -14.62 61.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.445 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 88.4 m-85 -104.29 0.61 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' LEU . 88.1 m -46.06 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' HD13 ' A' ' 33' ' ' LEU . 13.6 p -39.54 -51.14 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 18.4 m -54.21 -38.93 66.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.7 mt -75.75 -54.67 6.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 36' ' ' TYR . 25.5 mt -54.15 -57.95 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 29' ' ' SER . 7.9 mp -48.88 -44.84 40.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.4 m-80 -63.49 -26.24 68.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.55 -27.51 3.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.547 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.9 m-85 -63.68 92.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.504 ' C ' HD13 ' A' ' 15' ' ' ILE . 17.8 mt-10 -93.59 -42.4 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -134.16 162.68 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.786 HD11 HD13 ' A' ' 71' ' ' LEU . 6.7 mt -41.89 -40.79 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -40.85 -42.53 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 5.2 m-20 -75.46 -36.32 60.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.027 ' O ' HG22 ' A' ' 45' ' ' ILE . 22.4 mt -62.45 -29.17 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.8 ptmt -59.0 -11.86 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -108.79 -13.23 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.027 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -69.4 147.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -131.22 -179.5 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -57.58 -48.08 80.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -57.98 -50.08 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -44.4 -56.16 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.013 HD22 HD13 ' A' ' 64' ' ' LEU . 28.2 mt -48.37 -48.6 36.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 61.6 mt -53.38 -46.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.24 -21.4 63.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 96.3 mt -87.37 21.12 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 t30 74.69 25.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 50' ' ' LEU . 9.3 mt -110.82 30.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.416 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.4 -22.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.2 m-20 -75.13 133.18 75.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -38.99 6.98 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.91 -44.94 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.486 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.2 m-20 -75.94 -48.82 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.959 ' HA ' HD13 ' A' ' 50' ' ' LEU . 64.2 mtm-85 -50.25 -58.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.81 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -57.04 -28.52 62.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.013 HD13 HD22 ' A' ' 50' ' ' LEU . 2.2 tt -79.93 -46.09 17.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.7 mt -70.6 -60.5 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.5 t -47.03 -40.16 14.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.73 61.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.715 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.08 -42.18 85.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.08 -45.95 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -60.09 -42.99 95.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.786 HD13 HD11 ' A' ' 39' ' ' LEU . 6.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.493 ' HB3' HD12 ' A' ' 39' ' ' LEU . 3.0 tp-100 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.875 0.369 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 17' ' ' GLU . 11.2 t -99.09 149.63 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.493 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -53.58 -49.68 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.604 ' NE2' ' H ' ' A' ' 16' ' ' GLN . 2.0 mp0 -40.68 -68.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.421 ' H ' HG23 ' A' ' 14' ' ' THR . 69.2 mm-40 -64.42 -40.97 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.7 t80 -55.18 -24.85 28.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.724 HD23 HD11 ' A' ' 22' ' ' ILE . 90.0 mt -92.68 -39.29 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.87 -29.26 11.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -73.81 -34.83 64.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.95 HD12 HD12 ' A' ' 24' ' ' LEU . 4.3 pt -98.92 12.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 49.55 39.8 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.95 HD12 HD12 ' A' ' 22' ' ' ILE . 36.2 mt -119.71 13.32 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -53.75 -16.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.01 -17.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.594 ' CE2' ' OD2' ' A' ' 60' ' ' ASP . 96.4 m-85 -100.91 -9.38 21.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.8 m -38.57 -72.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 p -39.91 -50.52 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.536 HG21 ' O ' ' A' ' 53' ' ' LEU . 42.3 m -54.8 -37.03 65.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.04 -45.32 27.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 36' ' ' TYR . 85.4 mt -63.92 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.66 -35.59 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -73.1 -32.63 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 142.51 -33.15 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.622 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.9 m-85 -58.7 96.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.493 ' C ' HD13 ' A' ' 15' ' ' ILE . 75.8 mt-10 -94.78 -44.62 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -133.73 166.15 23.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.845 HD11 HD13 ' A' ' 71' ' ' LEU . 7.5 mt -45.93 -41.75 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -41.64 -33.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.42 -33.34 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.952 ' O ' HG22 ' A' ' 45' ' ' ILE . 24.7 mt -64.86 -21.16 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.7 ptmt -63.91 -10.39 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.99 -4.88 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.952 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.3 tt -77.74 145.12 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 176.59 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.2 -42.09 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 51' ' ' ILE . 55.3 p -62.56 -50.5 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.422 ' CB ' HG13 ' A' ' 45' ' ' ILE . 61.1 m80 -44.35 -53.95 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.98 HD13 ' HA ' ' A' ' 61' ' ' ARG . 21.4 mt -49.67 -47.98 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 48' ' ' SER . 70.0 mt -52.41 -53.46 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.25 -22.0 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.536 ' O ' HG21 ' A' ' 30' ' ' THR . 96.4 mt -86.28 19.17 2.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 m120 74.81 25.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 50' ' ' LEU . 9.4 mt -109.46 28.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.53 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.5 m-20 -77.28 132.22 70.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.87 28.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -53.0 -49.6 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 43.2 t0 -76.09 -46.47 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.98 ' HA ' HD13 ' A' ' 50' ' ' LEU . 66.0 mtm-85 -51.27 -59.63 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.88 -55.76 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 48.8 mtt-85 -56.05 -36.19 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.871 HD13 HD22 ' A' ' 50' ' ' LEU . 1.3 tt -72.82 -35.7 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.65 -60.75 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.412 ' HA ' ' CD ' ' A' ' 69' ' ' GLU . 17.9 m -57.43 -18.84 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -84.44 -55.4 4.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -62.79 -31.54 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 70' ' ' SER . 9.6 pt-20 -67.02 -48.06 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.476 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 t -57.17 -36.86 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 39' ' ' LEU . 9.5 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 2.4 tp-100 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.87 0.367 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 t -97.68 136.99 37.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.8 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -44.69 -51.93 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.498 ' CD ' HG21 ' A' ' 28' ' ' THR . 29.9 mm-40 -37.94 -64.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.06 -47.26 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.737 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.0 t80 -47.7 -29.31 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 31' ' ' LEU . 95.3 mt -88.05 -43.92 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -48.57 -34.15 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.573 HH11 HG23 ' A' ' 22' ' ' ILE . 4.8 ptm180 -68.5 -43.25 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.573 HG23 HH11 ' A' ' 21' ' ' ARG . 15.1 pt -91.32 1.28 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 64.06 41.15 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.473 HD23 ' HB ' ' A' ' 22' ' ' ILE . 4.0 mm? -114.83 8.66 16.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -51.47 -22.48 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.491 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 13.9 pt-20 -61.08 -9.32 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.0 m-85 -112.46 -9.7 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.498 HG21 ' CD ' ' A' ' 16' ' ' GLN . 78.8 m -36.99 -71.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -44.74 -47.06 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 19.6 m -58.26 -30.21 66.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -83.5 -51.55 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 36' ' ' TYR . 55.0 mt -57.76 -59.04 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -46.13 -37.91 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.6 m-80 -72.42 -28.35 62.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.18 -34.35 2.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.444 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.632 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.3 m-85 -56.06 93.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.552 ' C ' HD13 ' A' ' 15' ' ' ILE . 22.8 mt-10 -94.58 -42.07 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.4 p -134.11 166.42 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.769 HD11 HD13 ' A' ' 71' ' ' LEU . 3.8 mt -44.94 -41.89 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -41.09 -36.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 2.8 m-20 -78.49 -37.45 43.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 HG13 ' A' ' 15' ' ' ILE . 39.6 mt -67.59 -24.3 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -58.0 -21.1 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.23 32.93 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.9 tt -104.84 135.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 159.54 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.6 -43.54 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 51' ' ' ILE . 66.4 p -56.57 -52.84 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -41.26 -55.76 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.053 HD22 HD13 ' A' ' 64' ' ' LEU . 17.8 mt -48.84 -45.56 40.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 48' ' ' SER . 76.4 mt -54.6 -50.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.71 -21.65 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 94.4 mt -85.16 18.68 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 75.01 25.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.521 ' O ' HG22 ' A' ' 55' ' ' ILE . 11.9 mt -109.09 29.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -75.88 131.88 75.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.21 8.17 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -48.07 -40.31 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.7 m-20 -80.81 -47.62 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.942 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.1 mtm-85 -51.3 -52.35 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.64 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -58.99 -29.76 67.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.053 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -78.76 -42.9 26.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.711 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.4 mt -75.06 -63.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -23.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.56 -55.46 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.03 -31.65 42.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -47.1 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -57.36 -39.47 76.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 39' ' ' LEU . 11.9 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 18' ' ' PHE . 5.6 tp-100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.862 0.363 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 t -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.535 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -38.08 -55.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.465 ' OE1' HD21 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -36.81 -63.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.3 -44.61 82.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.485 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.7 t80 -52.93 -24.93 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.59 HD23 HD11 ' A' ' 22' ' ' ILE . 96.0 mt -89.69 -38.99 13.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.51 -28.35 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.67 -41.86 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.692 ' HB ' HD23 ' A' ' 24' ' ' LEU . 12.0 pt -92.9 1.14 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 62.41 37.68 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.692 HD23 ' HB ' ' A' ' 22' ' ' ILE . 1.7 mm? -112.36 15.84 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.1 -14.29 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.63 -16.59 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.624 ' CE2' HD12 ' A' ' 24' ' ' LEU . 74.7 m-85 -103.44 -3.5 25.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.2 m -42.06 -73.24 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -42.51 -48.53 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 53' ' ' LEU . 15.0 m -55.07 -39.15 68.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -75.23 -48.1 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.465 HD21 ' OE1' ' A' ' 16' ' ' GLN . 53.3 mt -61.21 -62.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -44.7 -41.95 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -65.57 -37.46 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.1 -28.83 1.68 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 94.6 m-85 -64.37 96.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.535 ' C ' HD13 ' A' ' 15' ' ' ILE . 42.7 mt-10 -97.87 -39.87 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 p -134.23 163.73 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 71' ' ' LEU . 5.8 mt -43.4 -41.35 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 4.1 m-20 -41.02 -40.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.472 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -76.1 -39.67 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.799 ' O ' HG22 ' A' ' 45' ' ' ILE . 45.7 mt -57.92 -21.58 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 8.0 ptmt -65.42 -11.04 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -110.46 -5.56 15.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.7 tt -79.78 142.89 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -131.57 177.29 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -53.09 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -60.32 -51.96 67.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -43.54 -56.43 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.961 HD13 ' HA ' ' A' ' 61' ' ' ARG . 19.7 mt -47.03 -46.48 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.97 -50.43 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.42 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.503 ' O ' HG21 ' A' ' 30' ' ' THR . 95.6 mt -86.91 19.46 3.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 74.82 25.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 50' ' ' LEU . 12.1 mt -109.71 29.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -42.26 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m-20 -76.0 132.0 74.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.52 6.44 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -47.68 -40.12 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.484 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.6 m-20 -81.31 -47.65 13.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.961 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.5 mtm-85 -52.66 -56.81 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.8 -53.25 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.49 -33.52 66.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.934 HD13 HD22 ' A' ' 50' ' ' LEU . 1.7 tt -73.41 -56.08 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.484 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.3 mt -57.72 -59.73 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 t -45.9 -45.46 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.47 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.43 -49.38 77.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -48.93 -54.6 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -49.14 -41.53 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 39' ' ' LEU . 6.8 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' HD23 ' A' ' 39' ' ' LEU . 3.5 tp-100 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.876 0.369 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.588 HG23 ' H ' ' A' ' 17' ' ' GLU . 15.0 t -98.39 149.99 22.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.906 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -58.09 -48.68 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 16' ' ' GLN . 2.0 mp0 -43.46 -62.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.588 ' H ' HG23 ' A' ' 14' ' ' THR . 35.9 mt-10 -67.75 -41.0 84.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.3 t80 -55.14 -30.99 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.649 HD11 ' CD1' ' A' ' 31' ' ' LEU . 94.0 mt -85.69 -43.42 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -47.62 -35.06 8.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -65.02 -39.65 93.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.644 ' O ' HD22 ' A' ' 24' ' ' LEU . 5.9 pt -96.49 5.73 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 63.63 34.69 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 22' ' ' ILE . 1.6 mm? -112.63 21.5 15.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.426 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -63.9 -7.52 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -75.37 -16.42 60.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CE2' HD12 ' A' ' 24' ' ' LEU . 69.5 m-85 -100.6 -4.42 28.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.7 m -44.13 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -40.27 -49.33 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.583 HG21 ' O ' ' A' ' 53' ' ' LEU . 13.4 m -56.38 -35.32 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.649 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.2 mt -78.65 -51.23 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 36' ' ' TYR . 31.7 mt -58.82 -56.92 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.55 -33.81 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -77.52 -27.88 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.83 -36.35 1.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.49 ' O ' HD23 ' A' ' 32' ' ' LEU . 99.5 m-85 -55.47 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.495 ' C ' HD13 ' A' ' 15' ' ' ILE . 18.8 mt-10 -89.03 -44.81 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.488 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 82.0 p -134.32 168.51 18.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 71' ' ' LEU . 1.4 mm? -45.44 -43.81 11.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 1.9 m-20 -40.53 -33.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.43 -44.02 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.016 ' O ' HG22 ' A' ' 45' ' ' ILE . 35.1 mt -57.01 -22.46 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 9.3 ptmt -60.56 -10.46 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -113.79 -8.42 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.016 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.7 tt -74.47 147.1 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -131.49 178.35 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.54 -46.08 77.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -58.51 -52.24 66.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.401 ' CB ' HG13 ' A' ' 45' ' ' ILE . 55.0 m80 -41.99 -54.1 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.951 HD22 HD13 ' A' ' 64' ' ' LEU . 12.1 mt -49.89 -46.31 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.7 mt -54.61 -46.3 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.0 -20.14 62.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.583 ' O ' HG21 ' A' ' 30' ' ' THR . 95.8 mt -88.77 20.5 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 53' ' ' LEU . 1.4 m120 73.27 27.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' HG22 ' A' ' 55' ' ' ILE . 14.7 mt -110.91 28.59 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -40.6 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.9 OUTLIER -74.75 131.76 78.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -40.82 4.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.74 2.294 . . . . 0.0 112.322 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -46.97 -39.73 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.488 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.5 m-20 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.921 ' HA ' HD13 ' A' ' 50' ' ' LEU . 66.1 mtm-85 -52.84 -57.17 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.23 -53.34 58.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -56.37 -36.16 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.951 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -70.95 -50.03 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.6 mt -67.95 -68.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' LEU . 31.0 t -38.24 -38.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -53.15 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -54.54 -50.53 67.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.34 -36.5 43.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -66.82 -42.74 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.733 ' CD1' HD11 ' A' ' 39' ' ' LEU . 4.2 mt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 6.3 tp-100 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.877 0.37 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.0 t -97.01 125.66 41.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.628 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -34.03 -58.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.508 ' N ' HG22 ' A' ' 15' ' ' ILE . 10.1 mt-30 -34.52 -55.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.51 -47.66 46.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.1 t80 -51.33 -25.14 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.697 HD23 HD11 ' A' ' 22' ' ' ILE . 88.5 mt -85.51 -36.43 20.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.88 -33.12 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.425 ' CZ ' ' CB ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -72.72 -38.55 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.867 HD12 HD12 ' A' ' 24' ' ' LEU . 5.3 pt -93.77 7.87 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 53.66 35.72 21.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 22' ' ' ILE . 56.2 mt -118.1 19.95 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 16.7 pt20 -61.21 -11.76 10.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 17.9 pt-20 -65.93 -15.02 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.9 m-85 -105.09 4.54 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' LEU . 85.0 m -47.92 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 p -39.62 -51.1 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.714 HG21 ' O ' ' A' ' 53' ' ' LEU . 64.8 m -53.38 -37.18 62.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.8 mt -77.98 -51.49 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -55.9 -61.9 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mp -46.72 -39.83 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -68.1 -30.3 69.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 -33.46 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -56.24 91.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -90.83 -45.68 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.8 p -134.12 162.96 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.713 ' CD1' HD13 ' A' ' 71' ' ' LEU . 33.3 mt -40.51 -43.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' LEU . 43.2 m-20 -36.86 -41.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.46 -40.59 57.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 45' ' ' ILE . 60.5 mt -61.65 -29.64 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -54.77 -17.47 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -118.7 31.81 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -102.99 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -128.19 151.16 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -38.25 -40.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -58.91 -48.07 82.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -48.04 -53.15 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.967 ' CD2' HD13 ' A' ' 64' ' ' LEU . 14.7 mt -50.54 -44.69 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -54.13 -53.22 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.94 -23.34 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.714 ' O ' HG21 ' A' ' 30' ' ' THR . 87.2 mt -83.43 17.1 2.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 75.0 25.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -108.42 29.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.47 -24.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -75.21 132.68 76.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.76 7.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.39 -43.87 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.48 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 12.0 m-20 -77.38 -48.36 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.882 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.6 mtm-85 -49.2 -57.3 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.61 -53.08 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' HB2' HD11 ' A' ' 24' ' ' LEU . 43.3 mtt180 -56.53 -31.24 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.967 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.2 tt -78.09 -42.76 31.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.708 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.6 mt -74.55 -61.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 m -46.39 -39.44 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.33 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.696 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -54.17 -32.59 55.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -57.35 -40.34 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 39' ' ' LEU . 9.3 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.1 tp-100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.9 0.381 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.8 t -102.08 130.86 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.53 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -36.24 -54.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.6 ' NE2' ' H ' ' A' ' 16' ' ' GLN . 1.6 mp0 -38.2 -65.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.18 -42.07 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.618 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.9 t80 -55.75 -25.16 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.714 HD23 HD11 ' A' ' 22' ' ' ILE . 98.2 mt -90.43 -38.17 13.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -53.23 -34.22 56.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -70.0 -41.69 74.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 24' ' ' LEU . 5.6 pt -90.03 4.35 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 60.3 32.82 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.989 HD12 HD12 ' A' ' 22' ' ' ILE . 60.4 mt -116.83 25.54 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -15.37 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 11.1 pt-20 -66.54 -9.92 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.0 m-85 -107.44 -1.73 21.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' LEU . 89.8 m -44.69 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -39.42 -49.44 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 53' ' ' LEU . 55.4 m -55.93 -36.62 67.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.56 -48.07 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 36' ' ' TYR . 73.6 mt -60.16 -60.96 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mp -45.89 -42.41 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -65.32 -33.47 76.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.85 -30.17 2.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.565 ' O ' HD23 ' A' ' 32' ' ' LEU . 93.9 m-85 -62.99 97.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.53 ' C ' HD13 ' A' ' 15' ' ' ILE . 22.9 mt-10 -97.06 -43.16 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -134.16 167.18 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.809 HD11 HD13 ' A' ' 71' ' ' LEU . 6.3 mt -45.61 -39.82 8.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -41.49 -35.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 5.8 m-20 -81.85 -38.84 24.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.694 ' O ' HG22 ' A' ' 45' ' ' ILE . 65.8 mt -61.21 -34.39 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.4 ptmt -53.16 -15.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.37 29.0 8.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.7 tt -102.72 146.42 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -127.64 156.51 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -40.85 -42.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.432 ' HA ' HD12 ' A' ' 51' ' ' ILE . 6.1 m -59.47 -55.2 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -39.36 -54.77 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.904 HD22 HD13 ' A' ' 64' ' ' LEU . 70.4 mt -50.82 -53.22 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 48' ' ' SER . 77.5 mt -45.13 -54.29 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.13 -21.74 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.578 ' O ' HG21 ' A' ' 30' ' ' THR . 95.3 mt -85.76 20.11 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 74.95 25.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.0 mt -111.64 30.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.12 -22.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -75.8 136.53 70.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -43.96 2.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.758 2.305 . . . . 0.0 112.33 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -48.67 -42.18 33.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 31.0 m-20 -74.88 -47.61 29.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.886 ' HA ' HD13 ' A' ' 50' ' ' LEU . 76.4 mtm-85 -58.5 -63.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.19 -57.23 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -49.14 -30.46 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.904 HD13 HD22 ' A' ' 50' ' ' LEU . 1.6 tt -78.54 -46.12 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 8.0 mp -58.43 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -41.99 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.86 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.67 -38.9 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 -64.26 -50.64 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -52.95 -44.56 67.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.809 HD13 HD11 ' A' ' 39' ' ' LEU . 7.7 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.434 ' O ' HD23 ' A' ' 39' ' ' LEU . 2.8 tp-100 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.884 0.373 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -98.43 145.5 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.568 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -52.01 -48.56 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.531 ' NE2' HG21 ' A' ' 28' ' ' THR . 31.9 mm-40 -39.99 -69.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.407 ' H ' HG23 ' A' ' 14' ' ' THR . 80.8 mm-40 -65.35 -42.1 93.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.418 ' HD1' HD11 ' A' ' 71' ' ' LEU . 1.9 t80 -52.3 -24.03 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.575 HD11 ' CD1' ' A' ' 31' ' ' LEU . 92.9 mt -92.65 -40.1 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.72 -29.06 17.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -72.12 -40.17 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HB ' HD23 ' A' ' 24' ' ' LEU . 11.5 pt -95.93 3.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 62.79 40.56 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.543 HD23 ' HB ' ' A' ' 22' ' ' ILE . 3.8 mm? -118.12 13.65 13.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.418 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -58.49 -14.18 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.45 -9.87 55.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.462 ' CE2' HD12 ' A' ' 24' ' ' LEU . 97.6 m-85 -107.43 -5.84 17.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.531 HG21 ' NE2' ' A' ' 16' ' ' GLN . 89.5 m -39.63 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 p -39.41 -49.31 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 23.1 m -56.33 -36.77 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.46 -51.07 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 36' ' ' TYR . 45.7 mt -57.77 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -46.2 -35.15 4.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -74.18 -28.77 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 138.22 -32.98 2.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.507 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.6 m-85 -58.51 101.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.436 ' C ' HD13 ' A' ' 15' ' ' ILE . 14.0 mt-10 -100.17 -45.29 5.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -134.3 163.75 28.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 71' ' ' LEU . 1.4 mm? -41.21 -39.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.27 -41.87 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 10.5 m-20 -73.18 -42.98 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' HG22 ' A' ' 45' ' ' ILE . 66.8 mt -58.57 -18.89 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -58.95 -19.34 42.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.97 29.17 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.901 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.3 tt -103.31 133.5 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -119.0 169.64 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.18 -44.47 43.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 m -57.32 -51.24 70.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -42.82 -54.12 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.138 HD22 HD13 ' A' ' 64' ' ' LEU . 25.6 mt -52.1 -47.72 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.417 HG12 ' NH1' ' A' ' 61' ' ' ARG . 56.2 mt -49.59 -55.59 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.07 -21.15 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 30' ' ' THR . 91.7 mt -84.93 19.85 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 71.78 24.93 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 55' ' ' ILE . 9.8 mt -107.81 28.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.59 -26.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.1 m-20 -73.97 130.64 82.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.615 0.722 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.93 5.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -46.63 -35.95 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.478 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 18.4 m-20 -86.42 -46.43 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.955 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.7 mtm-85 -54.2 -55.32 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.0 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -56.59 -38.34 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.138 HD13 HD22 ' A' ' 50' ' ' LEU . 2.4 tt -69.32 -37.45 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.3 mt -76.18 -63.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.6 t -47.03 -20.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.7 -54.01 4.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.562 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.3 pt-20 -64.57 -47.43 78.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.1 t -58.84 -43.76 90.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.646 ' CD1' HD11 ' A' ' 39' ' ' LEU . 3.1 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.7 tp-100 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 t -85.64 128.11 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.518 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -37.94 -59.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.5 ' N ' HG22 ' A' ' 15' ' ' ILE . 8.1 mt-30 -34.11 -62.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.722 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.5 t80 -53.69 -28.37 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 22' ' ' ILE . 65.9 mt -84.78 -45.63 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.523 ' NH1' HD21 ' A' ' 71' ' ' LEU . 6.8 ptm180 -66.87 -46.22 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.638 HD12 HD23 ' A' ' 24' ' ' LEU . 15.3 pt -88.09 0.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 63.74 36.92 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.638 HD23 HD12 ' A' ' 22' ' ' ILE . 2.1 mm? -113.87 20.7 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -61.01 -13.47 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.4 -17.0 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.604 ' CE2' HD12 ' A' ' 24' ' ' LEU . 71.5 m-85 -102.46 -7.07 22.24 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 32' ' ' LEU . 44.0 m -37.79 -73.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -42.79 -48.65 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 63.9 m -55.64 -38.71 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -75.37 -52.87 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 28' ' ' THR . 35.4 mt -56.91 -57.43 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 mt -47.77 -48.38 30.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.0 m-80 -60.49 -34.11 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.05 -30.34 1.91 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 97.6 m-85 -59.59 91.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.512 ' C ' HD13 ' A' ' 15' ' ' ILE . 16.0 mt-10 -90.69 -44.15 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 80.8 p -134.11 168.94 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.948 HD11 HD13 ' A' ' 71' ' ' LEU . 9.0 mt -45.95 -42.23 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -42.47 -33.56 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 4.9 m-20 -79.22 -37.74 37.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.727 ' O ' HG22 ' A' ' 45' ' ' ILE . 88.6 mt -67.95 -30.55 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.1 ptmt -50.53 -23.53 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.04 32.68 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -101.76 145.46 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' GLU . 15.5 mmtp -126.25 150.28 48.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' LYS . 34.3 tt0 -37.84 -37.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -63.68 -49.93 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -44.32 -52.91 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.101 HD22 HD13 ' A' ' 64' ' ' LEU . 34.8 mt -50.46 -49.27 55.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.05 -53.43 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -63.05 -21.88 66.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 86.7 mt -84.02 17.88 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m120 75.0 25.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.544 ' O ' HG22 ' A' ' 55' ' ' ILE . 14.9 mt -108.8 30.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.74 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.7 m-20 -75.63 130.19 79.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.14 2.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.1 -30.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.493 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 20.4 m-20 -90.99 -43.53 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.967 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.8 mtm-85 -56.67 -50.88 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 31.9 mtt180 -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.101 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -70.27 -45.71 65.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.627 ' HG ' HD11 ' A' ' 50' ' ' LEU . 6.2 mt -71.38 -59.92 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -52.92 -18.61 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -87.84 -56.55 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.69 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.45 -32.83 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' SER . 15.0 pt-20 -65.57 -48.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.55 -38.88 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.948 HD13 HD11 ' A' ' 39' ' ' LEU . 15.0 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 14' ' ' THR . 1.9 tp-100 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.831 0.348 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.1 t -101.86 124.57 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.59 HG13 HD11 ' A' ' 42' ' ' LEU . 1.2 mp -35.65 -48.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.69 -46.82 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.565 ' H ' HG23 ' A' ' 14' ' ' THR . 34.7 mt-10 -80.69 -41.52 23.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.65 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.1 t80 -58.31 -23.66 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.752 HD11 ' CD1' ' A' ' 31' ' ' LEU . 63.9 mt -87.78 -45.83 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -48.08 -36.8 13.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -62.88 -39.45 94.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.698 HD12 HD23 ' A' ' 24' ' ' LEU . 13.2 pt -95.9 2.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 63.83 36.82 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 HD12 ' A' ' 22' ' ' ILE . 2.0 mm? -114.01 17.56 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' H ' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -57.27 -12.41 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.32 -14.99 63.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.612 ' CE2' HD12 ' A' ' 24' ' ' LEU . 60.2 m-85 -104.53 -6.46 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -40.47 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -42.39 -50.13 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 53' ' ' LEU . 50.2 m -54.26 -38.92 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.752 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -74.81 -51.1 14.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 36' ' ' TYR . 42.2 mt -57.91 -58.71 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -46.95 -44.17 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -64.6 -36.14 83.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.57 -34.31 1.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.425 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.1 m-85 -56.13 96.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.459 ' C ' HD13 ' A' ' 15' ' ' ILE . 15.2 mt-10 -96.05 -46.83 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.412 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 72.7 p -129.58 167.38 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.621 HD11 HD13 ' A' ' 71' ' ' LEU . 8.3 mt -43.5 -43.92 5.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -41.17 -42.28 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 13.8 m-20 -69.51 -34.78 74.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.721 ' O ' HG22 ' A' ' 45' ' ' ILE . 57.6 mt -70.14 -22.22 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -59.05 -21.26 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.02 28.75 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.1 tt -99.23 144.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -128.52 154.44 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -39.75 -40.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -61.54 -51.51 68.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.408 ' CD2' ' OH ' ' A' ' 36' ' ' TYR . 18.4 m80 -42.81 -54.42 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.076 HD22 HD13 ' A' ' 64' ' ' LEU . 39.2 mt -49.35 -49.85 42.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.5 mt -51.85 -52.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.79 -21.06 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.589 ' O ' HG21 ' A' ' 30' ' ' THR . 89.5 mt -85.54 19.69 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 t30 73.6 25.02 2.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 57' ' ' ASP . 7.7 mt -109.47 29.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -38.56 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -74.0 129.68 84.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.15 3.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -44.51 -33.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.504 ' OD1' HD11 ' A' ' 24' ' ' LEU . 36.3 m-20 -88.5 -45.19 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.957 ' HA ' HD13 ' A' ' 50' ' ' LEU . 74.7 mtm-85 -53.61 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.07 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 39.1 mtt-85 -58.16 -35.96 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.076 HD13 HD22 ' A' ' 50' ' ' LEU . 2.4 tt -71.59 -39.83 70.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.66 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.3 mt -77.25 -63.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.5 m -50.1 -18.69 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -86.4 -55.05 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.698 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -60.4 -30.58 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 70' ' ' SER . 16.5 pt-20 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -57.36 -32.06 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 68' ' ' ALA . 12.3 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 14' ' ' THR . 3.4 tp-100 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.896 0.379 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.466 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 4.4 t -97.56 135.94 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.579 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.3 mp -41.47 -46.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.406 ' CD ' HG21 ' A' ' 28' ' ' THR . 30.7 mm-40 -44.55 -69.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' H ' HG23 ' A' ' 14' ' ' THR . 53.8 mm-40 -61.6 -35.57 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.468 ' HD1' HD11 ' A' ' 71' ' ' LEU . 2.1 t80 -61.13 -30.74 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' CD1' ' A' ' 31' ' ' LEU . 75.5 mt -84.86 -40.13 17.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -48.92 -42.95 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.656 HH11 HG23 ' A' ' 22' ' ' ILE . 4.4 ptm180 -57.8 -40.45 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.079 HD12 HD12 ' A' ' 24' ' ' LEU . 10.3 pt -95.41 8.73 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 54.53 41.74 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.079 HD12 HD12 ' A' ' 22' ' ' ILE . 28.1 mt -117.42 20.04 13.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.45 -12.84 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.1 pt-20 -69.14 -21.18 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 94.8 m-85 -97.93 -5.34 34.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.406 HG21 ' CD ' ' A' ' 16' ' ' GLN . 26.8 m -42.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' HD13 ' A' ' 33' ' ' LEU . 63.9 p -41.65 -47.55 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.457 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 29.9 m -57.54 -39.45 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.761 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.7 mt -73.32 -47.7 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 36' ' ' TYR . 49.9 mt -62.94 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 29' ' ' SER . 10.1 mp -44.88 -35.58 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -74.12 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.49 -35.31 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.476 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.8 m-85 -55.58 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.936 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.579 ' C ' HD13 ' A' ' 15' ' ' ILE . 16.1 mt-10 -98.95 -43.52 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 76.2 p -131.21 167.18 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 71' ' ' LEU . 4.5 mt -48.44 -38.98 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.01 -28.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.23 -40.57 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.766 ' O ' HG22 ' A' ' 45' ' ' ILE . 62.3 mt -62.87 -27.38 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -55.87 -17.32 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -117.03 29.7 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.8 tt -104.05 144.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.65 158.67 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' CG ' ' HE ' ' A' ' 61' ' ' ARG . 45.2 tt0 -42.03 -43.46 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 51' ' ' ILE . 89.1 p -56.78 -54.81 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -40.6 -57.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.716 HD13 ' HA ' ' A' ' 61' ' ' ARG . 15.8 mt -49.53 -52.98 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.42 HG12 ' NH1' ' A' ' 61' ' ' ARG . 74.0 mt -46.73 -53.47 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.88 -22.63 67.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' HG21 ' A' ' 30' ' ' THR . 88.9 mt -84.48 19.01 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 74.92 24.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 50' ' ' LEU . 4.8 mt -110.36 31.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.184 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.408 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.69 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.1 t70 -73.98 133.24 79.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -48.06 -34.93 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -83.35 -45.98 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.716 ' HA ' HD13 ' A' ' 50' ' ' LEU . 71.2 mtm-85 -59.51 -58.99 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.9 -55.65 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 52.6 mtt-85 -53.69 -38.34 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.412 HD13 HD22 ' A' ' 50' ' ' LEU . 1.2 tt -67.87 -49.45 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.88 -60.37 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -52.75 -16.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -86.63 -52.99 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -63.37 -35.74 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.528 ' CG ' ' N ' ' A' ' 70' ' ' SER . 4.7 pt-20 -60.37 -50.22 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.4 t -55.89 -40.69 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 39' ' ' LEU . 6.9 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 14' ' ' THR . 2.8 tp-100 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.849 0.357 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.493 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 10.1 t -98.46 132.56 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.562 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -37.21 -57.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.582 ' NE2' ' H ' ' A' ' 16' ' ' GLN . 2.5 mp0 -34.92 -70.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.443 ' H ' HG23 ' A' ' 14' ' ' THR . 73.9 mm-40 -60.58 -42.01 95.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.2 t80 -54.43 -28.77 46.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 HD11 ' A' ' 22' ' ' ILE . 96.7 mt -86.01 -37.75 18.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.89 -33.04 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -68.74 -39.93 80.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.031 HD12 HD12 ' A' ' 24' ' ' LEU . 11.6 pt -94.42 7.88 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 54.69 35.36 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 22' ' ' ILE . 44.5 mt -115.06 16.89 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.13 -12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 12.0 pt-20 -67.48 -10.07 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 93.4 m-85 -108.85 0.63 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 32' ' ' LEU . 84.7 m -45.62 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -39.88 -49.46 2.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 53' ' ' LEU . 6.5 m -55.83 -38.69 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.586 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.4 mt -74.9 -48.07 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 36' ' ' TYR . 32.7 mt -62.13 -60.61 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -45.65 -37.23 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -71.54 -38.01 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 -32.15 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.48 ' O ' HD23 ' A' ' 32' ' ' LEU . 93.8 m-85 -60.48 97.72 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.367 . . . . 0.0 110.927 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.562 ' C ' HD13 ' A' ' 15' ' ' ILE . 43.6 mt-10 -96.97 -44.86 6.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -133.25 168.07 19.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.755 HD11 HD13 ' A' ' 71' ' ' LEU . 5.6 mt -47.12 -36.34 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 14.7 t70 -46.02 -33.5 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.62 -36.24 22.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.815 ' O ' HG22 ' A' ' 45' ' ' ILE . 41.4 mt -61.55 -34.24 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -55.06 -14.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -115.26 25.83 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.1 tt -103.51 144.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -127.3 156.24 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -39.71 -40.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 51' ' ' ILE . 84.3 p -60.72 -51.99 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.441 ' CD2' ' OH ' ' A' ' 36' ' ' TYR . 51.8 m80 -43.03 -55.2 3.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.988 HD13 ' HA ' ' A' ' 61' ' ' ARG . 26.9 mt -48.45 -48.58 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.437 HG12 ' NH1' ' A' ' 61' ' ' ARG . 71.2 mt -52.24 -52.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.3 -20.5 64.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' HG21 ' A' ' 30' ' ' THR . 86.6 mt -89.54 23.85 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m120 68.71 24.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -106.29 27.35 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.66 -24.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -73.9 131.59 81.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.841 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.53 10.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.6 -42.92 35.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 32.5 m-20 -78.65 -47.96 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.988 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.8 mtm-85 -54.4 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 65' ' ' LEU . . . -43.39 -58.24 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -53.89 -49.91 67.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.88 HD13 HD22 ' A' ' 50' ' ' LEU . 1.5 tt -56.04 -35.12 66.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 62' ' ' ALA . 9.6 mt -74.68 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.6 t -59.02 -18.09 31.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.68 -57.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -60.4 -33.67 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 70' ' ' SER . 11.9 pt-20 -65.04 -49.27 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.51 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.73 -42.74 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.755 HD13 HD11 ' A' ' 39' ' ' LEU . 7.6 mt . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.0 tp-100 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.869 0.366 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 17' ' ' GLU . 11.0 t -99.48 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.668 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -53.17 -44.36 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.55 ' NE2' HG21 ' A' ' 28' ' ' THR . 0.1 OUTLIER -43.72 -68.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' H ' HG23 ' A' ' 14' ' ' THR . 14.0 mt-10 -66.32 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.452 ' HD1' HD11 ' A' ' 71' ' ' LEU . 1.9 t80 -54.26 -26.33 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.759 HD23 HD11 ' A' ' 22' ' ' ILE . 86.5 mt -90.41 -40.39 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 10.2 mt-10 -51.38 -23.16 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 1.7 ptp180 -79.41 -38.26 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.813 HD12 HD12 ' A' ' 24' ' ' LEU . 6.1 pt -94.64 8.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 55.4 33.45 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 22' ' ' ILE . 19.1 mt -116.3 25.16 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -67.19 -7.77 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.5 pt-20 -71.9 -12.32 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.5 m-85 -106.3 -8.06 17.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.55 HG21 ' NE2' ' A' ' 16' ' ' GLN . 89.4 m -38.18 -71.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.423 ' O ' HD13 ' A' ' 33' ' ' LEU . 11.6 p -39.95 -50.04 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 53' ' ' LEU . 52.7 m -55.5 -36.43 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.544 ' CD1' HD11 ' A' ' 19' ' ' LEU . 11.6 mt -77.86 -52.2 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.547 ' CD1' HG22 ' A' ' 28' ' ' THR . 19.7 mt -57.2 -57.97 10.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 29' ' ' SER . 9.0 mp -48.35 -41.96 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -28.65 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 -38.53 1.64 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.4 ' O ' HD23 ' A' ' 32' ' ' LEU . 78.6 m-85 -57.7 100.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.668 ' C ' HD13 ' A' ' 15' ' ' ILE . 25.7 mt-10 -110.96 -31.64 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.494 ' N ' HD13 ' A' ' 15' ' ' ILE . 34.9 p -132.16 156.48 46.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.906 HD11 HD13 ' A' ' 71' ' ' LEU . 9.3 mt -43.7 -45.81 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.26 -38.66 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.25 -34.45 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.998 ' O ' HG22 ' A' ' 45' ' ' ILE . 27.3 mt -65.52 -21.32 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.8 ptmt -67.26 -11.95 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.37 -2.46 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.998 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.5 tt -84.81 148.24 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 172.15 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -50.41 -49.89 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -49.33 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.419 ' CB ' HG13 ' A' ' 45' ' ' ILE . 41.5 m80 -45.37 -55.98 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 61' ' ' ARG . 23.8 mt -50.58 -51.11 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.433 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 62.8 mt -47.94 -50.06 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.39 -20.9 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.438 ' O ' HG21 ' A' ' 30' ' ' THR . 95.5 mt -87.56 21.5 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.65 26.86 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' A' ' 50' ' ' LEU . 8.2 mt -113.09 30.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.12 -22.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' ILE . 4.6 m-20 -75.44 131.73 77.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.85 15.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -52.27 -46.82 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.6 m-20 -74.84 -48.62 24.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.759 ' HA ' HD13 ' A' ' 50' ' ' LEU . 60.1 mtm-85 -52.7 -59.7 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.21 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -56.38 -26.72 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.447 HD13 HD22 ' A' ' 50' ' ' LEU . 1.6 tt -83.45 -34.24 25.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.13 -55.88 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.3 m -59.96 -17.69 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.82 -53.55 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -63.19 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.1 pt-20 -66.07 -48.96 69.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.498 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.5 t -55.89 -39.7 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.906 HD13 HD11 ' A' ' 39' ' ' LEU . 8.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.8 t -90.86 146.52 23.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.84 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -57.29 -51.22 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -41.65 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 14' ' ' THR . 27.4 mt-10 -65.3 -43.12 92.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CD1' HD11 ' A' ' 71' ' ' LEU . 1.4 t80 -51.36 -36.28 42.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 31' ' ' LEU . 91.1 mt -79.29 -35.76 40.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.36 -35.92 20.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 7.6 ptm180 -63.4 -48.09 79.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.665 ' CG1' HD23 ' A' ' 24' ' ' LEU . 9.9 pt -91.07 1.83 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 21.1 m-70 63.66 38.09 9.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.665 HD23 ' CG1' ' A' ' 22' ' ' ILE . 3.8 mm? -107.7 10.16 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 26.7 pt20 -53.94 -18.54 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 17.5 pt-20 -65.95 -8.51 23.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 98.0 m-85 -110.43 -1.33 17.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.428 HG22 ' CD1' ' A' ' 32' ' ' LEU . 89.5 m -42.59 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 m -41.52 -49.39 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 53' ' ' LEU . 29.6 m -54.59 -36.39 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.567 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -78.67 -49.63 12.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD1' HG22 ' A' ' 28' ' ' THR . 51.9 mt -58.54 -59.01 6.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mp -47.11 -37.65 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -71.74 -30.36 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.67 -28.53 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -62.79 94.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' HD13 ' A' ' 15' ' ' ILE . 21.1 mt-10 -96.77 -39.59 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -134.19 164.26 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.852 HD11 ' CD1' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -47.05 -44.31 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.96 -33.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.48 -39.31 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 15' ' ' ILE . 26.0 mt -61.3 -21.02 63.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -60.7 -9.68 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.18 -18.61 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.0 tt -63.18 139.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -128.17 178.49 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -51.29 -46.82 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 p -59.7 -55.24 36.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.432 ' CB ' HG13 ' A' ' 45' ' ' ILE . 67.3 m80 -41.04 -56.49 2.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.067 HD22 HD13 ' A' ' 64' ' ' LEU . 29.2 mt -48.54 -48.75 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.4 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 66.5 mt -52.58 -50.06 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -66.71 -20.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.668 ' O ' HG21 ' A' ' 30' ' ' THR . 95.2 mt -87.77 21.66 2.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 74.62 26.19 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 60' ' ' ASP . 9.9 mt -112.9 30.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.57 -22.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -76.85 133.07 70.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -32.12 19.36 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -53.33 -49.51 66.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.513 ' HB2' HG23 ' A' ' 55' ' ' ILE . 29.8 m-20 -72.83 -49.18 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.933 ' HA ' HD13 ' A' ' 50' ' ' LEU . 67.3 mtm-85 -48.94 -59.38 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.89 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -53.35 -39.17 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.067 HD13 HD22 ' A' ' 50' ' ' LEU . 1.8 tt -68.34 -56.27 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.1 mt -59.49 -68.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -39.29 -43.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.18 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.41 65.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -51.56 -34.53 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -68.34 -48.24 65.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.852 ' CD1' HD11 ' A' ' 39' ' ' LEU . 13.2 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.4 tp-100 . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.851 0.358 . . . . 0.0 110.925 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.5 t -105.72 126.57 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.742 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -34.51 -60.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.534 ' N ' HG22 ' A' ' 15' ' ' ILE . 15.0 mt-30 -33.74 -63.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.502 ' H ' HG23 ' A' ' 14' ' ' THR . 3.9 mm-40 -66.51 -46.39 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.701 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.1 t80 -50.53 -24.83 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 31' ' ' LEU . 86.4 mt -89.2 -41.94 11.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -48.43 -35.73 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.644 ' NH1' HD21 ' A' ' 71' ' ' LEU . 11.3 ptp180 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.478 HG23 ' HG3' ' A' ' 21' ' ' ARG . 28.6 pt -90.99 -0.26 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' LEU . 2.9 m-70 64.77 46.73 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.496 HD12 ' CD2' ' A' ' 27' ' ' TYR . 4.3 mm? -121.17 13.1 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -56.44 -13.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.58 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 8.0 pt-20 -70.28 -9.1 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.58 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.7 m-85 -109.96 -9.25 14.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 32' ' ' LEU . 20.9 m -36.33 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -42.42 -50.98 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.606 HG21 ' O ' ' A' ' 53' ' ' LEU . 64.1 m -54.0 -38.59 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.5 mt -74.95 -54.59 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 28' ' ' THR . 39.1 mt -55.54 -58.73 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.17 -41.09 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.31 -31.84 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.94 -37.42 1.59 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 99.3 m-85 -53.65 91.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.437 ' C ' HD13 ' A' ' 15' ' ' ILE . 37.8 mt-10 -93.62 -43.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -132.21 167.54 19.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.842 HD11 HD13 ' A' ' 71' ' ' LEU . 6.4 mt -47.11 -38.13 10.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -45.19 -35.28 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 5.3 m-20 -80.37 -37.04 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 45' ' ' ILE . 46.9 mt -65.69 -32.91 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -52.92 -17.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.53 30.16 7.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.2 tt -104.1 147.47 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -127.74 152.25 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -39.46 -39.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.2 m -61.84 -51.94 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -42.32 -54.18 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.063 HD22 HD13 ' A' ' 64' ' ' LEU . 38.4 mt -49.28 -49.99 41.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 48' ' ' SER . 71.4 mt -49.98 -52.3 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -22.24 66.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.606 ' O ' HG21 ' A' ' 30' ' ' THR . 91.8 mt -83.66 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 75.04 25.43 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 55' ' ' ILE . 13.8 mt -108.3 29.69 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -37.69 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.8 m-20 -74.17 129.2 84.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -36.71 10.12 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.284 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -47.32 -39.81 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.0 m-20 -82.59 -46.87 12.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.938 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.3 mtm-85 -51.23 -55.48 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.06 49.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -55.48 -38.91 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.063 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -68.21 -48.07 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.577 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.7 mt -68.52 -66.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -39.9 -39.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' ' 22' ' ' ILE . . . -66.99 -56.52 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.639 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -55.6 -37.81 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.63 -48.23 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -58.71 -48.3 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.842 HD13 HD11 ' A' ' 39' ' ' LEU . 11.4 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.5 tp-100 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.839 0.352 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 17' ' ' GLU . 11.5 t -98.92 130.2 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 16' ' ' GLN . 1.4 mp -36.65 -58.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.486 ' N ' HG22 ' A' ' 15' ' ' ILE . 8.7 mt-30 -34.47 -63.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.509 ' H ' HG23 ' A' ' 14' ' ' THR . 56.9 mt-10 -66.18 -46.4 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.749 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.4 t80 -51.18 -25.93 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' ILE . 79.6 mt -88.51 -38.64 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -51.87 -29.8 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -75.41 -34.92 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 19' ' ' LEU . 6.7 pt -95.33 5.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 55.66 39.28 30.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 22' ' ' ILE . 33.5 mt -124.99 19.82 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -58.09 -14.14 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -16.43 63.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.598 ' CE1' ' OD2' ' A' ' 60' ' ' ASP . 78.6 m-85 -99.19 0.15 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 90.1 m -47.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -46.26 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.52 HG21 ' O ' ' A' ' 53' ' ' LEU . 30.7 m -58.42 -38.91 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 mt -75.87 -48.08 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 36' ' ' TYR . 62.6 mt -61.65 -58.62 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -47.48 -38.64 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.3 m-80 -71.5 -31.18 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.99 -34.99 1.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.588 ' CE1' HD12 ' A' ' 45' ' ' ILE . 96.8 m-85 -57.22 95.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' HD13 ' A' ' 15' ' ' ILE . 32.6 mt-10 -95.89 -45.88 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -131.1 168.72 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.841 HD11 HD13 ' A' ' 71' ' ' LEU . 5.4 mt -48.03 -43.05 29.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.38 -33.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -39.78 23.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.735 ' O ' HG22 ' A' ' 45' ' ' ILE . 72.5 mt -61.56 -33.1 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -54.3 -16.2 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.16 28.64 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.735 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.5 tt -103.37 145.8 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.28 157.04 39.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -41.56 -42.58 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.61 ' HA ' HD12 ' A' ' 51' ' ' ILE . 13.9 m -59.0 -54.86 42.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -40.61 -52.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 61' ' ' ARG . 54.0 mt -52.78 -52.8 55.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 48' ' ' SER . 62.4 mt -46.86 -52.21 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.47 -22.96 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.52 ' O ' HG21 ' A' ' 30' ' ' THR . 85.0 mt -83.35 17.22 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 74.99 25.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.567 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.9 mt -105.25 29.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.56 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.2 m-20 -77.68 129.76 75.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.24 27.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.68 -42.13 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.598 ' OD2' ' CE1' ' A' ' 27' ' ' TYR . 40.2 t0 -81.76 -46.72 13.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.901 ' HA ' HD13 ' A' ' 50' ' ' LEU . 74.5 mtm-85 -53.06 -49.47 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.93 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -57.55 -29.45 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.843 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -78.55 -46.98 18.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.24 -57.37 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -51.54 -47.55 63.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.79 -54.87 39.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.593 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -56.36 -38.63 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.89 -48.8 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -56.68 -48.13 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.841 HD13 HD11 ' A' ' 39' ' ' LEU . 9.1 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.847 0.356 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -94.02 130.68 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.607 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -35.95 -56.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HG3' HG21 ' A' ' 28' ' ' THR . 1.6 mp0 -35.53 -71.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.43 ' H ' HG23 ' A' ' 14' ' ' THR . 41.2 mt-10 -59.27 -41.0 87.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.624 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.3 t80 -56.36 -26.27 52.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 31' ' ' LEU . 89.6 mt -90.8 -39.47 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -51.19 -29.32 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.601 HH11 HG23 ' A' ' 22' ' ' ILE . 4.6 ptm180 -72.99 -38.3 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.928 HD12 HD12 ' A' ' 24' ' ' LEU . 6.5 pt -96.28 7.15 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 57.47 38.76 28.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.928 HD12 HD12 ' A' ' 22' ' ' ILE . 14.2 mt -117.22 19.32 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -60.24 -18.86 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 27' ' ' TYR . 17.4 pt-20 -62.66 -8.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CD1' ' HG3' ' A' ' 26' ' ' GLU . 96.1 m-85 -110.02 -9.27 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.495 HG21 ' HG3' ' A' ' 16' ' ' GLN . 25.8 m -37.41 -67.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -46.56 -50.25 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.604 HG21 ' O ' ' A' ' 53' ' ' LEU . 61.2 m -52.88 -38.11 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.5 mt -75.75 -51.11 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 36' ' ' TYR . 60.6 mt -58.0 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 mp -46.59 -39.34 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -70.19 -28.13 65.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 136.45 -31.58 2.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.474 ' O ' HD23 ' A' ' 32' ' ' LEU . 85.2 m-85 -61.85 97.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.519 ' C ' HD13 ' A' ' 15' ' ' ILE . 49.6 mt-10 -99.44 -42.03 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 36.5 p -129.49 165.28 21.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.853 HD11 HD13 ' A' ' 71' ' ' LEU . 8.8 mt -46.67 -44.63 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -40.85 -33.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.6 -32.87 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.747 ' O ' HG22 ' A' ' 45' ' ' ILE . 29.8 mt -67.11 -30.0 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -58.13 -12.26 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -107.06 -11.59 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.747 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.0 tt -73.46 143.0 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -128.1 -179.44 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -55.69 -46.99 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.401 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.6 p -58.46 -55.8 30.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -39.97 -57.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.052 HD22 HD13 ' A' ' 64' ' ' LEU . 32.9 mt -48.09 -50.08 29.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 48' ' ' SER . 68.5 mt -51.35 -51.09 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -65.61 -21.13 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.604 ' O ' HG21 ' A' ' 30' ' ' THR . 94.2 mt -86.03 19.76 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 75.0 26.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 8.1 mt -111.54 30.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.47 -24.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -74.74 129.55 83.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -30.48 22.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.13 -49.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 5.3 m-20 -74.11 -48.58 28.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.933 ' HA ' HD13 ' A' ' 50' ' ' LEU . 62.5 mtm-85 -47.52 -55.6 8.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.95 -52.41 65.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.052 HD13 HD22 ' A' ' 50' ' ' LEU . 2.0 tt -76.28 -49.78 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.4 mt -67.36 -65.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -43.66 -40.61 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.21 -57.91 8.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -50.6 -53.99 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -54.64 -26.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -76.98 -19.35 57.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.853 HD13 HD11 ' A' ' 39' ' ' LEU . 5.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.6 tp-100 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.883 0.373 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 17' ' ' GLU . 8.8 t -90.83 144.61 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.599 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -50.36 -50.35 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 16' ' ' GLN . 1.2 mp0 -41.0 -70.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.439 ' H ' HG23 ' A' ' 14' ' ' THR . 43.0 mm-40 -61.49 -38.84 88.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.5 t80 -57.41 -28.56 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.889 HD23 HD11 ' A' ' 22' ' ' ILE . 86.5 mt -87.55 -39.82 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.92 -37.41 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -68.71 -41.33 79.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.955 HD12 HD12 ' A' ' 24' ' ' LEU . 16.4 pt -89.57 4.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 57.74 44.22 20.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.955 HD12 HD12 ' A' ' 22' ' ' ILE . 26.7 mt -127.69 18.54 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 14.6 pt20 -59.28 -10.91 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.9 -16.38 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.494 ' CE2' HG12 ' A' ' 55' ' ' ILE . 85.2 m-85 -99.6 -4.56 30.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.2 m -42.55 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.163 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 33' ' ' LEU . 24.5 p -40.14 -47.79 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.432 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 54.0 m -57.02 -38.57 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.58 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -75.7 -49.06 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 36' ' ' TYR . 52.0 mt -60.36 -59.9 4.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 29' ' ' SER . 6.6 mp -45.96 -40.82 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -68.28 -35.77 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 -34.66 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.446 ' O ' HD23 ' A' ' 32' ' ' LEU . 91.4 m-85 -57.61 106.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.514 ' C ' HD13 ' A' ' 15' ' ' ILE . 28.2 mt-10 -105.18 -42.09 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.4 p -134.23 165.65 24.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.872 HD11 HD13 ' A' ' 71' ' ' LEU . 7.7 mt -43.92 -44.57 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -40.15 -36.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.73 -39.91 35.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 39' ' ' LEU . 77.8 mt -60.16 -34.54 73.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.9 ptmt -51.75 -16.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -102.81 -18.94 14.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.802 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 42' ' ' LEU . 3.7 tt -63.9 141.05 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.97 172.33 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -48.53 -43.5 35.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.442 ' HA ' HD12 ' A' ' 51' ' ' ILE . 43.5 p -63.09 -55.59 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -40.17 -55.51 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.943 HD13 ' HA ' ' A' ' 61' ' ' ARG . 41.2 mt -49.23 -51.11 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 48' ' ' SER . 72.1 mt -48.71 -55.09 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -59.44 -21.26 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.15 26.09 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 67.62 25.05 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 50' ' ' LEU . 7.0 mt -108.59 27.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.46 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 14.6 m-20 -74.04 131.98 80.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.7 8.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.11 -41.21 48.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.2 m-20 -80.9 -47.46 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.943 ' HA ' HD13 ' A' ' 50' ' ' LEU . 64.1 mtm-85 -52.18 -56.88 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.94 50.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -56.89 -30.45 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.868 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -79.18 -38.08 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.556 ' HG ' HD11 ' A' ' 50' ' ' LEU . 6.3 mt -76.1 -64.08 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -45.75 -35.71 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.47 -58.12 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -55.39 -36.62 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -62.7 -46.34 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 t -62.11 -45.9 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 HD11 ' A' ' 39' ' ' LEU . 8.6 mt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.796 ' HB3' HD22 ' A' ' 39' ' ' LEU . 8.7 tp-100 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.942 0.401 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.741 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.5 t -100.88 148.72 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.525 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -63.72 -38.23 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.62 ' NE2' ' H ' ' A' ' 16' ' ' GLN . 1.1 mp0 -53.33 -56.15 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.741 ' H ' HG23 ' A' ' 14' ' ' THR . 48.0 mt-10 -73.31 -34.29 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.715 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.0 t80 -63.49 -29.09 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.787 HD23 HD11 ' A' ' 22' ' ' ILE . 91.5 mt -86.78 -43.56 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.91 -36.79 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.432 ' NH1' HD21 ' A' ' 71' ' ' LEU . 9.4 ptp180 -67.82 -43.48 79.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.787 HD11 HD23 ' A' ' 19' ' ' LEU . 6.5 pt -88.1 2.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 59.77 42.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 60' ' ' ASP . 10.8 mt -125.75 23.09 7.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -61.99 -14.2 32.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.531 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.4 pt-20 -67.42 -10.69 53.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.531 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.4 m-85 -107.5 -1.51 21.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.517 HG22 ' CD1' ' A' ' 32' ' ' LEU . 89.9 m -45.44 -70.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 p -42.83 -50.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 24.6 m -53.42 -32.88 51.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.523 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -82.41 -49.27 10.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 28' ' ' THR . 30.2 mt -60.75 -60.6 3.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.07 -34.64 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -74.74 -33.22 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.52 -20.61 2.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 32' ' ' LEU . 99.1 m-85 -71.96 95.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.462 ' C ' HD13 ' A' ' 15' ' ' ILE . 40.6 mt-10 -94.73 -43.95 8.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' LEU . 73.1 p -134.43 157.06 47.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.114 HD21 HD13 ' A' ' 71' ' ' LEU . 10.8 mp -36.46 -41.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 10.1 t70 -38.11 -47.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.25 -36.27 63.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.038 ' O ' HG22 ' A' ' 45' ' ' ILE . 28.8 mt -57.9 -29.37 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 7.8 ptmt -59.41 -11.05 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -108.36 -11.46 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 1.038 HG22 ' O ' ' A' ' 42' ' ' LEU . 7.7 tt -75.15 148.5 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -131.43 -177.35 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -61.35 -49.39 77.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.9 p -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -51.21 -56.21 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.977 HD13 ' HA ' ' A' ' 61' ' ' ARG . 29.6 mt -50.35 -48.47 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.424 HG12 ' NH1' ' A' ' 61' ' ' ARG . 77.5 mt -53.48 -47.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.0 -23.32 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.403 ' CD2' ' OD1' ' A' ' 34' ' ' ASN . 95.5 mt -83.82 17.6 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 t30 74.97 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 55' ' ' ILE . 14.1 mt -105.69 29.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.66 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -73.89 127.62 87.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -36.41 10.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -47.69 -38.68 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.585 ' HA ' HD11 ' A' ' 24' ' ' LEU . 6.5 m-20 -82.72 -47.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.977 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.7 mtm-85 -52.75 -55.11 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.15 61.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.051 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -56.56 -28.65 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.817 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.1 tt -80.29 -46.91 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -68.29 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -45.56 -41.98 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.21 38.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.78 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.73 -46.98 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -48.35 -52.62 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -55.1 -44.75 75.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.114 HD13 HD21 ' A' ' 39' ' ' LEU . 7.3 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.583 ' HG2' HD13 ' A' ' 71' ' ' LEU . 6.3 tp60 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -88.59 139.23 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.5 mp -52.29 -55.28 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' ILE . 23.4 mp0 -35.84 -61.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -67.81 -49.68 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.8 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.4 t80 -47.2 -28.55 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 22' ' ' ILE . 93.8 mt -86.32 -37.87 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.407 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 36.7 mm-40 -54.34 -32.05 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -74.02 -33.43 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 19' ' ' LEU . 6.9 pt -96.82 7.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 52.5 39.89 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.57 HD12 HD12 ' A' ' 22' ' ' ILE . 21.2 mt -123.07 18.11 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' NE2' ' CD ' ' A' ' 20' ' ' GLU . 12.4 pt20 -57.63 -13.13 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.68 -11.23 24.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.67 -1.87 16.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.9 m -45.07 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.8 p -42.98 -50.66 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.487 HG21 ' O ' ' A' ' 53' ' ' LEU . 15.4 m -54.58 -31.44 56.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 19' ' ' LEU . 11.5 mt -82.69 -51.24 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 36' ' ' TYR . 49.1 mt -59.22 -58.16 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -47.31 -32.62 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -77.88 -28.36 49.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.64 -26.89 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.543 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.1 m-85 -61.46 89.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.8 -41.53 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -134.07 161.17 35.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.749 HD11 HD12 ' A' ' 71' ' ' LEU . 1.6 mm? -46.95 -39.87 13.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 5.8 m-20 -39.45 -33.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.84 -40.05 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.641 ' O ' HG22 ' A' ' 45' ' ' ILE . 78.9 mt -57.22 -31.18 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt -50.23 -18.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -116.31 32.4 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.1 tt -107.47 134.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -114.49 157.66 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.2 -44.91 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.9 p -56.02 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -38.36 -52.73 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.991 ' CD2' HD13 ' A' ' 64' ' ' LEU . 42.4 mt -53.41 -50.17 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.427 HG12 ' NH1' ' A' ' 61' ' ' ARG . 72.8 mt -50.47 -53.38 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.73 -23.57 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.487 ' O ' HG21 ' A' ' 30' ' ' THR . 84.8 mt -83.86 17.9 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 74.73 25.05 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 55' ' ' ILE . 10.4 mt -107.02 29.45 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.83 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.6 m-20 -73.91 129.63 84.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.45 6.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.49 -38.85 14.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.496 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.8 m-20 -82.24 -47.14 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.941 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.2 mtm-85 -51.52 -54.0 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -52.0 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -57.25 -28.57 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.991 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.2 tt -80.83 -46.44 15.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.632 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.6 mt -70.42 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -45.92 -44.88 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.2 -54.87 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.57 -38.31 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.32 -39.06 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.8 HD11 ' CD1' ' A' ' 18' ' ' PHE . 17.5 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.0 p -40.07 144.33 0.22 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.862 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.6 t -44.61 -49.17 10.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.74 139.99 15.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.514 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 t -69.55 154.4 42.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.371 . . . . 0.0 110.875 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.7 m -117.88 -53.11 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.11 -122.33 0.87 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.505 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.61 165.27 24.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.802 0.334 . . . . 0.0 110.88 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -131.93 152.61 50.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.554 ' O ' ' CD2' ' A' ' 12' ' ' HIS . 9.5 tt0 -114.57 101.91 9.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 43.53 28.86 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 10' ' ' GLU . 31.2 m170 -89.55 122.33 32.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 -92.7 136.58 33.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.776 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -94.35 154.27 17.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.114 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.504 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -62.52 -41.41 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.9 mp0 -53.64 -42.88 68.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.776 ' H ' HG23 ' A' ' 14' ' ' THR . 48.4 mt-10 -84.24 -34.04 23.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.754 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.6 t80 -66.61 -24.66 66.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.571 HD11 ' CD1' ' A' ' 31' ' ' LEU . 93.8 mt -87.57 -39.61 14.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.524 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 39.6 mm-40 -53.58 -37.06 62.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.418 ' NH1' ' HB2' ' A' ' 21' ' ' ARG . 0.4 OUTLIER -65.48 -37.3 86.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.909 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.012 HD12 HD12 ' A' ' 24' ' ' LEU . 6.9 pt -98.04 8.96 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 53.65 40.36 31.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.012 HD12 HD12 ' A' ' 22' ' ' ILE . 33.5 mt -120.48 17.59 12.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.524 ' NE2' ' CD ' ' A' ' 20' ' ' GLU . 17.1 pt20 -58.1 -13.5 4.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 10.2 pt-20 -65.41 -14.62 61.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.445 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 88.4 m-85 -104.29 0.61 29.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' N ' ' A' ' 31' ' ' LEU . 88.1 m -46.06 -74.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.408 ' O ' HD13 ' A' ' 33' ' ' LEU . 13.6 p -39.54 -51.14 2.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 18.4 m -54.21 -38.93 66.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.127 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.571 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.7 mt -75.75 -54.67 6.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.889 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 HD23 ' O ' ' A' ' 36' ' ' TYR . 25.5 mt -54.15 -57.95 9.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 29' ' ' SER . 7.9 mp -48.88 -44.84 40.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.4 m-80 -63.49 -26.24 68.63 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 134.55 -27.51 3.22 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.451 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.547 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.9 m-85 -63.68 92.52 0.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.36 . . . . 0.0 110.925 -179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.504 ' C ' HD13 ' A' ' 15' ' ' ILE . 17.8 mt-10 -93.59 -42.4 9.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 72.2 p -134.16 162.68 31.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.786 HD11 HD13 ' A' ' 71' ' ' LEU . 6.7 mt -41.89 -40.79 2.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -40.85 -42.53 1.84 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.418 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 5.2 m-20 -75.46 -36.32 60.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.027 ' O ' HG22 ' A' ' 45' ' ' ILE . 22.4 mt -62.45 -29.17 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.933 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.8 ptmt -59.0 -11.86 3.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -108.79 -13.23 14.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.027 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -69.4 147.46 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.125 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -131.22 -179.5 5.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -57.58 -48.08 80.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 p -57.98 -50.08 74.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 46.9 m80 -44.4 -56.16 4.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.013 HD22 HD13 ' A' ' 64' ' ' LEU . 28.2 mt -48.37 -48.6 36.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.438 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 61.6 mt -53.38 -46.66 58.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.145 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -70.24 -21.4 63.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 96.3 mt -87.37 21.12 2.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.906 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.2 t30 74.69 25.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.511 HD12 ' HA ' ' A' ' 50' ' ' LEU . 9.3 mt -110.82 30.51 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.103 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.416 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.4 -22.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.413 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.2 m-20 -75.13 133.18 75.55 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.571 0.7 . . . . 0.0 110.85 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -38.99 6.98 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.664 2.243 . . . . 0.0 112.341 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -49.91 -44.94 50.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.853 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.486 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.2 m-20 -75.94 -48.82 19.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.959 ' HA ' HD13 ' A' ' 50' ' ' LEU . 64.2 mtm-85 -50.25 -58.15 6.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.85 -52.81 63.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 44.2 mtt180 -57.04 -28.52 62.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.013 HD13 HD22 ' A' ' 50' ' ' LEU . 2.2 tt -79.93 -46.09 17.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.646 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.7 mt -70.6 -60.5 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.933 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.5 t -47.03 -40.16 14.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.66 -51.73 61.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.08 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.715 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.08 -42.18 85.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.026 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -55.08 -45.95 75.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.901 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -60.09 -42.99 95.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.786 HD13 HD11 ' A' ' 39' ' ' LEU . 6.8 mt -66.37 -57.47 7.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.946 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.422 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 45.1 mt -68.29 -70.9 0.24 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.4 m -72.52 82.54 1.1 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 172.46 85.66 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 87.6 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.674 2.249 . . . . 0.0 112.343 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 89.4 p -111.35 116.13 30.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.2 t -52.64 -45.73 66.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.538 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.3 m 56.82 42.18 26.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 0.0 110.842 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.1 m -41.68 125.65 2.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.32 82.94 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -71.19 149.62 46.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.823 0.344 . . . . 0.0 110.884 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.4 m -76.49 166.18 23.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.33 41.68 2.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.8 mmt180 -138.0 152.76 49.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.823 0.344 . . . . 0.0 110.837 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.2 mmm180 -91.53 149.1 21.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -100.54 161.74 13.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -50.77 175.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 49.4 m80 -140.44 146.98 38.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.815 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.493 ' HB3' HD12 ' A' ' 39' ' ' LEU . 3.0 tp-100 -107.1 140.4 39.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.421 HG23 ' H ' ' A' ' 17' ' ' GLU . 11.2 t -99.09 149.63 22.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.087 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.493 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -53.58 -49.68 54.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.116 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.604 ' NE2' ' H ' ' A' ' 16' ' ' GLN . 2.0 mp0 -40.68 -68.14 0.2 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.421 ' H ' HG23 ' A' ' 14' ' ' THR . 69.2 mm-40 -64.42 -40.97 96.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.464 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.7 t80 -55.18 -24.85 28.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.724 HD23 HD11 ' A' ' 22' ' ' ILE . 90.0 mt -92.68 -39.29 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.947 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.87 -29.26 11.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.8 ptm180 -73.81 -34.83 64.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.95 HD12 HD12 ' A' ' 24' ' ' LEU . 4.3 pt -98.92 12.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.11 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 49.55 39.8 17.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.95 HD12 HD12 ' A' ' 22' ' ' ILE . 36.2 mt -119.71 13.32 12.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -53.75 -16.63 1.79 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.01 -17.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.594 ' CE2' ' OD2' ' A' ' 60' ' ' ASP . 96.4 m-85 -100.91 -9.38 21.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 31' ' ' LEU . 56.8 m -38.57 -72.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.153 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.1 p -39.91 -50.52 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.536 HG21 ' O ' ' A' ' 53' ' ' LEU . 42.3 m -54.8 -37.03 65.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.584 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.04 -45.32 27.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.946 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 36' ' ' TYR . 85.4 mt -63.92 -62.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.916 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -44.66 -35.59 2.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -73.1 -32.63 65.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 142.51 -33.15 1.9 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.622 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.9 m-85 -58.7 96.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.493 ' C ' HD13 ' A' ' 15' ' ' ILE . 75.8 mt-10 -94.78 -44.62 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.865 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.7 p -133.73 166.15 23.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.155 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.845 HD11 HD13 ' A' ' 71' ' ' LEU . 7.5 mt -45.93 -41.75 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -41.64 -33.41 0.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -84.42 -33.34 23.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.899 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.952 ' O ' HG22 ' A' ' 45' ' ' ILE . 24.7 mt -64.86 -21.16 66.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 72' ' ' LEU . 10.7 ptmt -63.91 -10.39 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -111.99 -4.88 14.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.952 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.3 tt -77.74 145.12 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -131.49 176.59 8.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -54.2 -42.09 69.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.877 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.418 ' HA ' HD12 ' A' ' 51' ' ' ILE . 55.3 p -62.56 -50.5 71.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.422 ' CB ' HG13 ' A' ' 45' ' ' ILE . 61.1 m80 -44.35 -53.95 6.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.98 HD13 ' HA ' ' A' ' 61' ' ' ARG . 21.4 mt -49.67 -47.98 49.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 48' ' ' SER . 70.0 mt -52.41 -53.46 19.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.107 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -63.25 -22.0 66.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.536 ' O ' HG21 ' A' ' 30' ' ' THR . 96.4 mt -86.28 19.17 2.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.9 m120 74.81 25.05 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 50' ' ' LEU . 9.4 mt -109.46 28.52 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.432 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.53 -24.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.086 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.5 m-20 -77.28 132.22 70.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 110.86 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -25.87 28.05 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -53.0 -49.6 65.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.594 ' OD2' ' CE2' ' A' ' 27' ' ' TYR . 43.2 t0 -76.09 -46.47 28.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.98 ' HA ' HD13 ' A' ' 50' ' ' LEU . 66.0 mtm-85 -51.27 -59.63 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.88 -55.76 15.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 48.8 mtt-85 -56.05 -36.19 67.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.871 HD13 HD22 ' A' ' 50' ' ' LEU . 1.3 tt -72.82 -35.7 67.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.3 mt -73.65 -60.75 2.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.412 ' HA ' ' CD ' ' A' ' 69' ' ' GLU . 17.9 m -57.43 -18.84 20.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.467 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -84.44 -55.4 4.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.068 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -62.79 -31.54 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.476 ' CG ' ' N ' ' A' ' 70' ' ' SER . 9.6 pt-20 -67.02 -48.06 69.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.476 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.3 t -57.17 -36.86 71.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.855 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.845 HD13 HD11 ' A' ' 39' ' ' LEU . 9.5 mt -71.97 -70.77 0.31 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 43' ' ' LYS . 11.6 mt -62.3 -72.5 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.8 t -78.67 79.8 5.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -163.7 140.09 6.26 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.494 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 134.32 27.66 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.716 2.278 . . . . 0.0 112.343 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 39.0 t -117.71 -59.58 1.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.913 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.8 p -50.36 176.32 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.463 -179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 m -43.61 -58.22 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.871 0.367 . . . . 0.0 110.83 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.2 t -54.7 -59.06 5.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.59 163.45 31.92 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.424 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 57.8 m -101.79 91.52 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.902 0.382 . . . . 0.0 110.839 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 m -103.05 98.3 8.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.839 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.3 -51.58 1.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.452 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -70.26 101.98 2.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.835 0.35 . . . . 0.0 110.91 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' NH1' ' HB2' ' A' ' 9' ' ' ARG . 0.3 OUTLIER -44.3 128.33 6.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -54.25 165.12 0.56 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.886 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -106.84 -179.9 4.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.3 m-70 -120.3 146.93 45.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.467 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 2.4 tp-100 -98.51 139.84 33.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.903 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 t -97.68 136.99 37.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.151 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.8 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -44.69 -51.93 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.498 ' CD ' HG21 ' A' ' 28' ' ' THR . 29.9 mm-40 -37.94 -64.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -67.06 -47.26 71.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.737 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.0 t80 -47.7 -29.31 2.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.556 HD11 ' CD1' ' A' ' 31' ' ' LEU . 95.3 mt -88.05 -43.92 11.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -48.57 -34.15 10.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.573 HH11 HG23 ' A' ' 22' ' ' ILE . 4.8 ptm180 -68.5 -43.25 77.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.897 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.573 HG23 HH11 ' A' ' 21' ' ' ARG . 15.1 pt -91.32 1.28 8.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.161 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 20.9 m-70 64.06 41.15 6.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.473 HD23 ' HB ' ' A' ' 22' ' ' ILE . 4.0 mm? -114.83 8.66 16.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.936 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -51.47 -22.48 3.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.491 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 13.9 pt-20 -61.08 -9.32 4.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.491 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.0 m-85 -112.46 -9.7 13.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.936 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.498 HG21 ' CD ' ' A' ' 16' ' ' GLN . 78.8 m -36.99 -71.18 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.6 p -44.74 -47.06 10.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 19.6 m -58.26 -30.21 66.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.158 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.556 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -83.5 -51.55 7.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD23 ' O ' ' A' ' 36' ' ' TYR . 55.0 mt -57.76 -59.04 5.82 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -46.13 -37.91 7.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.6 m-80 -72.42 -28.35 62.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.18 -34.35 2.08 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.444 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.632 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.3 m-85 -56.06 93.62 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.783 0.325 . . . . 0.0 110.935 -179.792 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.552 ' C ' HD13 ' A' ' 15' ' ' ILE . 22.8 mt-10 -94.58 -42.07 8.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.472 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.4 p -134.11 166.42 22.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.769 HD11 HD13 ' A' ' 71' ' ' LEU . 3.8 mt -44.94 -41.89 7.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -41.09 -36.04 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.496 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 2.8 m-20 -78.49 -37.45 43.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.8 HD11 HG13 ' A' ' 15' ' ' ILE . 39.6 mt -67.59 -24.3 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.0 ptmt -58.0 -21.1 43.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -115.23 32.93 5.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.761 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.9 tt -104.84 135.51 42.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.68 159.54 20.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.933 179.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -44.6 -43.54 8.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.46 ' HA ' HD12 ' A' ' 51' ' ' ILE . 66.4 p -56.57 -52.84 63.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 37.7 m80 -41.26 -55.76 2.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.053 HD22 HD13 ' A' ' 64' ' ' LEU . 17.8 mt -48.84 -45.56 40.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.46 HD12 ' HA ' ' A' ' 48' ' ' SER . 76.4 mt -54.6 -50.14 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -66.71 -21.65 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 94.4 mt -85.16 18.68 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 75.01 25.62 1.35 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.521 ' O ' HG22 ' A' ' 55' ' ' ILE . 11.9 mt -109.09 29.57 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -39.7 -25.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -75.88 131.88 75.48 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 110.892 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.21 8.17 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 65.1 mt-10 -48.07 -40.31 22.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.7 m-20 -80.81 -47.62 13.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.942 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.1 mtm-85 -51.3 -52.35 45.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.1 -52.64 64.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 48.2 mtt180 -58.99 -29.76 67.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.053 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -78.76 -42.9 26.85 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.711 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.4 mt -75.06 -63.24 1.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.2 t -44.84 -23.61 0.15 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.56 -55.46 4.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.115 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.494 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.03 -31.65 42.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.115 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -73.68 -47.1 42.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -57.36 -39.47 76.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.824 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.769 HD13 HD11 ' A' ' 39' ' ' LEU . 11.9 mt -66.68 -65.25 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.915 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.492 ' O ' ' N ' ' A' ' 74' ' ' GLY . 43.6 mt -57.29 -62.23 1.91 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 15.0 t -50.82 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.845 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 72' ' ' LEU . . . 71.78 146.26 0.52 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.532 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 89.59 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.697 2.265 . . . . 0.0 112.342 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 16.7 m -127.24 95.59 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 89.3 p -160.91 136.66 8.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.479 -179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -116.44 113.79 23.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.8 p -98.45 -52.63 3.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.6 87.34 0.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.532 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 6' ' ' SER . 82.6 p -118.22 71.02 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.83 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.429 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.0 m 35.33 44.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.33 -50.2 1.07 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -168.72 147.55 4.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.64 156.85 28.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -136.32 137.11 40.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.93 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.428 ' O ' ' C ' ' A' ' 12' ' ' HIS . 28.6 m-20 -59.6 -45.58 91.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.428 ' C ' ' O ' ' A' ' 11' ' ' ASN . 65.9 m-70 -35.82 134.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 18' ' ' PHE . 5.6 tp-100 -87.83 133.67 33.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 t -97.7 130.59 44.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.535 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -38.08 -55.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.146 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.465 ' OE1' HD21 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -36.81 -63.94 0.38 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.3 -44.61 82.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.485 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.7 t80 -52.93 -24.93 10.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.59 HD23 HD11 ' A' ' 22' ' ' ILE . 96.0 mt -89.69 -38.99 13.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.955 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -50.51 -28.35 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.929 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -72.67 -41.86 64.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.692 ' HB ' HD23 ' A' ' 24' ' ' LEU . 12.0 pt -92.9 1.14 9.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 62.41 37.68 13.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.692 HD23 ' HB ' ' A' ' 22' ' ' ILE . 1.7 mm? -112.36 15.84 20.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.938 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -55.1 -14.29 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -67.63 -16.59 64.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.624 ' CE2' HD12 ' A' ' 24' ' ' LEU . 74.7 m-85 -103.44 -3.5 25.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.949 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 37.2 m -42.06 -73.24 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.141 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 20.9 p -42.51 -48.53 5.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.874 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.503 HG21 ' O ' ' A' ' 53' ' ' LEU . 15.0 m -55.07 -39.15 68.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.578 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -75.23 -48.1 25.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.912 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.465 HD21 ' OE1' ' A' ' 16' ' ' GLN . 53.3 mt -61.21 -62.7 1.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -44.7 -41.95 7.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.466 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -65.57 -37.46 86.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.1 -28.83 1.68 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.525 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.472 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 94.6 m-85 -64.37 96.4 0.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.908 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.535 ' C ' HD13 ' A' ' 15' ' ' ILE . 42.7 mt-10 -97.87 -39.87 8.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.9 p -134.23 163.73 28.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.177 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.817 HD11 HD13 ' A' ' 71' ' ' LEU . 5.8 mt -43.4 -41.35 4.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.412 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 4.1 m-20 -41.02 -40.62 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.472 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 0.5 OUTLIER -76.1 -39.67 54.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.799 ' O ' HG22 ' A' ' 45' ' ' ILE . 45.7 mt -57.92 -21.58 44.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.412 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 8.0 ptmt -65.42 -11.04 38.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -110.46 -5.56 15.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.825 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.799 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.7 tt -79.78 142.89 13.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.093 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -131.57 177.29 7.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -53.09 -45.81 68.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.9 m -60.32 -51.96 67.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -43.54 -56.43 3.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.843 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.961 HD13 ' HA ' ' A' ' 61' ' ' ARG . 19.7 mt -47.03 -46.48 22.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.3 mt -53.97 -50.43 53.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.12 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.42 -21.49 66.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.836 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.503 ' O ' HG21 ' A' ' 30' ' ' THR . 95.6 mt -86.91 19.46 3.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 74.82 25.4 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 50' ' ' LEU . 12.1 mt -109.71 29.85 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -42.26 -23.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.067 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.2 m-20 -76.0 132.0 74.88 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.576 0.703 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -39.52 6.44 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.671 2.247 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -47.68 -40.12 19.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.484 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.6 m-20 -81.31 -47.65 13.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.961 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.5 mtm-85 -52.66 -56.81 12.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.8 -53.25 60.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 61.4 mtt180 -56.49 -33.52 66.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.934 HD13 HD22 ' A' ' 50' ' ' LEU . 1.7 tt -73.41 -56.08 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.484 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.3 mt -57.72 -59.73 4.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.89 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 t -45.9 -45.46 15.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.47 65.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.093 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.592 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.43 -49.38 77.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.116 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -48.93 -54.6 14.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.833 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 t -49.14 -41.53 36.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.817 HD13 HD11 ' A' ' 39' ' ' LEU . 6.8 mt -72.73 -69.54 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 46.4 mt -59.11 -72.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.1 t -76.6 83.0 3.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.62 -87.2 0.67 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 157.46 60.2 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.314 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.4 m -52.43 103.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.805 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 t -123.49 162.47 22.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.37 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.482 -179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m -161.56 149.6 15.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.87 0.367 . . . . 0.0 110.85 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.3 m -131.74 161.21 33.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.67 -76.9 0.2 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 p 43.28 41.1 2.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.891 0.377 . . . . 0.0 110.872 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -164.23 169.6 17.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.97 -149.72 18.9 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.436 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 34.9 ttp180 -104.47 101.98 11.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.7 mmt-85 -115.67 147.79 40.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.902 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -106.07 21.94 16.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.882 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -119.7 123.3 43.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.863 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -137.79 133.24 33.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.431 ' O ' HD23 ' A' ' 39' ' ' LEU . 3.5 tp-100 -93.23 141.65 28.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.932 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.588 HG23 ' H ' ' A' ' 17' ' ' GLU . 15.0 t -98.39 149.99 22.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.092 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.906 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -58.09 -48.68 83.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.125 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.618 ' NE2' ' H ' ' A' ' 16' ' ' GLN . 2.0 mp0 -43.46 -62.64 1.02 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.588 ' H ' HG23 ' A' ' 14' ' ' THR . 35.9 mt-10 -67.75 -41.0 84.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.3 t80 -55.14 -30.99 60.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.649 HD11 ' CD1' ' A' ' 31' ' ' LEU . 94.0 mt -85.69 -43.42 13.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -47.62 -35.06 8.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -65.02 -39.65 93.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.644 ' O ' HD22 ' A' ' 24' ' ' LEU . 5.9 pt -96.49 5.73 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 63.63 34.69 12.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.644 HD22 ' O ' ' A' ' 22' ' ' ILE . 1.6 mm? -112.63 21.5 15.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.426 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -63.9 -7.52 8.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -75.37 -16.42 60.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.601 ' CE2' HD12 ' A' ' 24' ' ' LEU . 69.5 m-85 -100.6 -4.42 28.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.7 m -44.13 -75.11 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.156 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.7 p -40.27 -49.33 2.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.583 HG21 ' O ' ' A' ' 53' ' ' LEU . 13.4 m -56.38 -35.32 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.139 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.649 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.2 mt -78.65 -51.23 10.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD23 ' O ' ' A' ' 36' ' ' TYR . 31.7 mt -58.82 -56.92 16.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.942 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -48.55 -33.81 10.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.979 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -77.52 -27.88 51.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.83 -36.35 1.9 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.48 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.49 ' O ' HD23 ' A' ' 32' ' ' LEU . 99.5 m-85 -55.47 89.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.37 . . . . 0.0 110.897 -179.776 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.495 ' C ' HD13 ' A' ' 15' ' ' ILE . 18.8 mt-10 -89.03 -44.81 10.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.488 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 82.0 p -134.32 168.51 18.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.12 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 71' ' ' LEU . 1.4 mm? -45.44 -43.81 11.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.49 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 1.9 m-20 -40.53 -33.81 0.3 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.43 -44.02 18.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.016 ' O ' HG22 ' A' ' 45' ' ' ILE . 35.1 mt -57.01 -22.46 38.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.626 ' HA ' HD13 ' A' ' 72' ' ' LEU . 9.3 ptmt -60.56 -10.46 5.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.923 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -113.79 -8.42 13.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.853 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.016 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.7 tt -74.47 147.1 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.9 mmtp -131.49 178.35 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -55.54 -46.08 77.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 15.0 m -58.51 -52.24 66.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.844 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.401 ' CB ' HG13 ' A' ' 45' ' ' ILE . 55.0 m80 -41.99 -54.1 3.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.951 HD22 HD13 ' A' ' 64' ' ' LEU . 12.1 mt -49.89 -46.31 51.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 57.7 mt -54.61 -46.3 72.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -71.0 -20.14 62.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.583 ' O ' HG21 ' A' ' 30' ' ' THR . 95.8 mt -88.77 20.5 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.447 ' OD1' ' C ' ' A' ' 53' ' ' LEU . 1.4 m120 73.27 27.24 1.97 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.55 ' O ' HG22 ' A' ' 55' ' ' ILE . 14.7 mt -110.91 28.59 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.45 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -40.6 -24.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.079 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.9 OUTLIER -74.75 131.76 78.96 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.663 0.745 . . . . 0.0 110.85 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -40.82 4.92 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.74 2.294 . . . . 0.0 112.322 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -46.97 -39.73 13.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.488 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 17.5 m-20 -81.75 -47.05 13.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.921 ' HA ' HD13 ' A' ' 50' ' ' LEU . 66.1 mtm-85 -52.84 -57.17 11.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.836 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.23 -53.34 58.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.2 mtt180 -56.37 -36.16 68.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.951 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -70.95 -50.03 39.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.546 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.6 mt -67.95 -68.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 65' ' ' LEU . 31.0 t -38.24 -38.01 0.32 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.07 -53.15 18.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.454 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -54.54 -50.53 67.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -51.34 -36.5 43.15 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.893 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.9 t -66.82 -42.74 85.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.861 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.733 ' CD1' HD11 ' A' ' 39' ' ' LEU . 4.2 mt -72.4 -56.89 4.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.626 HD13 ' HA ' ' A' ' 43' ' ' LYS . 11.0 mt -72.1 159.41 34.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.2 t 54.27 43.62 30.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.815 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 39.03 -158.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.446 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 109.1 2.22 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.683 2.256 . . . . 0.0 112.319 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.6 t -128.24 45.55 2.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 29.0 m -58.99 128.26 36.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.827 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.976 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 p 45.57 42.24 7.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.875 0.369 . . . . 0.0 110.865 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 t -95.27 140.43 30.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.82 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.29 116.28 0.41 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.47 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.2 m -117.54 82.77 1.88 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.859 0.362 . . . . 0.0 110.895 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -60.11 130.39 46.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.844 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.24 120.11 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -106.56 142.04 36.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.819 0.342 . . . . 0.0 110.883 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -136.07 178.56 6.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.844 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -85.83 107.5 17.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -125.53 -176.55 3.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -166.03 147.22 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 6.3 tp-100 -101.37 132.68 46.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.945 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.448 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.0 t -97.01 125.66 41.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.628 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -34.03 -58.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.508 ' N ' HG22 ' A' ' 15' ' ' ILE . 10.1 mt-30 -34.52 -55.33 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -72.51 -47.66 46.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.685 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.1 t80 -51.33 -25.14 5.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.697 HD23 HD11 ' A' ' 22' ' ' ILE . 88.5 mt -85.51 -36.43 20.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -53.88 -33.12 55.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' CZ ' ' CB ' ' A' ' 21' ' ' ARG . 0.2 OUTLIER -72.72 -38.55 67.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.867 HD12 HD12 ' A' ' 24' ' ' LEU . 5.3 pt -93.77 7.87 5.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 53.66 35.72 21.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.867 HD12 HD12 ' A' ' 22' ' ' ILE . 56.2 mt -118.1 19.95 13.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.415 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 16.7 pt20 -61.21 -11.76 10.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 17.9 pt-20 -65.93 -15.02 62.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.403 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.9 m-85 -105.09 4.54 31.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.439 ' O ' ' N ' ' A' ' 31' ' ' LEU . 85.0 m -47.92 -74.58 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 15.0 p -39.62 -51.1 2.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.714 HG21 ' O ' ' A' ' 53' ' ' LEU . 64.8 m -53.38 -37.18 62.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.159 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.8 mt -77.98 -51.49 10.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.908 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 59.5 mt -55.9 -61.9 2.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.906 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 mp -46.72 -39.83 12.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.947 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -68.1 -30.3 69.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 136.89 -33.46 2.32 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.482 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -56.24 91.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.944 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -90.83 -45.68 8.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 55.8 p -134.12 162.96 30.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.16 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.713 ' CD1' HD13 ' A' ' 71' ' ' LEU . 33.3 mt -40.51 -43.18 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' LEU . 43.2 m-20 -36.86 -41.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.863 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -75.46 -40.59 57.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.789 ' O ' HG22 ' A' ' 45' ' ' ILE . 60.5 mt -61.65 -29.64 70.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.2 ptmt -54.77 -17.47 3.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -118.7 31.81 6.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.789 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -102.99 147.88 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.107 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.8 mmmt -128.19 151.16 49.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -38.25 -40.48 0.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.5 p -58.91 -48.07 82.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.9 -179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.9 m80 -48.04 -53.15 17.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.967 ' CD2' HD13 ' A' ' 64' ' ' LEU . 14.7 mt -50.54 -44.69 56.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.6 mt -54.13 -53.22 30.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.138 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -64.94 -23.34 67.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.714 ' O ' HG21 ' A' ' 30' ' ' THR . 87.2 mt -83.43 17.1 2.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 31.6 t-20 75.0 25.11 1.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.509 HD12 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -108.42 29.71 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.47 -24.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.117 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -75.21 132.68 76.06 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.632 0.73 . . . . 0.0 110.831 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -38.76 7.23 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -49.39 -43.87 44.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.48 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 12.0 m-20 -77.38 -48.36 17.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.882 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.6 mtm-85 -49.2 -57.3 6.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.849 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.61 -53.08 61.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' HB2' HD11 ' A' ' 24' ' ' LEU . 43.3 mtt180 -56.53 -31.24 63.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.967 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.2 tt -78.09 -42.76 31.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.708 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.6 mt -74.55 -61.9 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.9 m -46.39 -39.44 10.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.14 -58.33 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.696 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -54.17 -32.59 55.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -68.63 -46.6 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -57.35 -40.34 77.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.713 HD13 ' CD1' ' A' ' 39' ' ' LEU . 9.3 mt -64.53 -64.24 0.93 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 34.0 mt -59.51 -71.77 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.2 p -88.59 81.91 7.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.875 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 149.61 73.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 104.12 1.27 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.653 2.235 . . . . 0.0 112.312 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m 46.0 45.28 12.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 14.8 t -78.36 141.18 38.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.856 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.525 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.7 m -107.72 116.56 32.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.923 0.392 . . . . 0.0 110.857 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.3 m -157.4 136.27 11.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.87 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.27 -108.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.536 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -67.04 83.3 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.84 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.2 m -84.76 -54.41 4.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.835 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.34 46.35 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.502 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -131.9 124.44 29.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.797 0.332 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.402 ' C ' ' HD2' ' A' ' 9' ' ' ARG . 4.6 ppt_? -80.83 160.68 24.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -131.97 144.13 50.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -135.54 -175.61 4.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -125.33 154.34 41.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.1 tp-100 -94.35 139.61 30.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.416 ' O ' ' C ' ' A' ' 15' ' ' ILE . 2.8 t -102.08 130.86 48.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.121 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.53 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.5 mp -36.24 -54.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.6 ' NE2' ' H ' ' A' ' 16' ' ' GLN . 1.6 mp0 -38.2 -65.22 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -65.18 -42.07 93.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.618 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.9 t80 -55.75 -25.16 39.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.837 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.714 HD23 HD11 ' A' ' 22' ' ' ILE . 98.2 mt -90.43 -38.17 13.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -53.23 -34.22 56.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -70.0 -41.69 74.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.989 HD12 HD12 ' A' ' 24' ' ' LEU . 5.6 pt -90.03 4.35 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.126 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 60.3 32.82 20.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.989 HD12 HD12 ' A' ' 22' ' ' ILE . 60.4 mt -116.83 25.54 10.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.49 -15.37 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.405 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 11.1 pt-20 -66.54 -9.92 39.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.0 m-85 -107.44 -1.73 21.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 31' ' ' LEU . 89.8 m -44.69 -73.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.4 p -39.42 -49.44 2.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.578 HG21 ' O ' ' A' ' 53' ' ' LEU . 55.4 m -55.93 -36.62 67.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.56 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.56 -48.07 17.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 36' ' ' TYR . 73.6 mt -60.16 -60.96 2.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.932 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.9 mp -45.89 -42.41 12.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.5 m-80 -65.32 -33.47 76.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 142.85 -30.17 2.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.565 ' O ' HD23 ' A' ' 32' ' ' LEU . 93.9 m-85 -62.99 97.62 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.53 ' C ' HD13 ' A' ' 15' ' ' ILE . 22.9 mt-10 -97.06 -43.16 7.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.863 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.442 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -134.16 167.18 21.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.809 HD11 HD13 ' A' ' 71' ' ' LEU . 6.3 mt -45.61 -39.82 8.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -41.49 -35.36 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.865 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.438 ' HB3' ' CD2' ' A' ' 36' ' ' TYR . 5.8 m-20 -81.85 -38.84 24.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.694 ' O ' HG22 ' A' ' 45' ' ' ILE . 65.8 mt -61.21 -34.39 75.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 8.4 ptmt -53.16 -15.87 1.02 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -117.37 29.0 8.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.694 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.7 tt -102.72 146.42 10.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mmmt -127.64 156.51 42.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -40.85 -42.65 1.87 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.904 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.432 ' HA ' HD12 ' A' ' 51' ' ' ILE . 6.1 m -59.47 -55.2 37.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -39.36 -54.77 1.84 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.904 HD22 HD13 ' A' ' 64' ' ' LEU . 70.4 mt -50.82 -53.22 33.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 48' ' ' SER . 77.5 mt -45.13 -54.29 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -63.13 -21.74 66.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.578 ' O ' HG21 ' A' ' 30' ' ' THR . 95.3 mt -85.76 20.11 2.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 74.95 25.24 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.471 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.0 mt -111.64 30.8 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.108 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -44.12 -22.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -75.8 136.53 70.37 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -43.96 2.39 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.758 2.305 . . . . 0.0 112.33 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -48.67 -42.18 33.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.898 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.429 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 31.0 m-20 -74.88 -47.61 29.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.835 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.886 ' HA ' HD13 ' A' ' 50' ' ' LEU . 76.4 mtm-85 -58.5 -63.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.832 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -46.19 -57.23 4.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 32.6 mtt-85 -49.14 -30.46 6.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.904 HD13 HD22 ' A' ' 50' ' ' LEU . 1.6 tt -78.54 -46.12 20.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' CD1' ' O ' ' A' ' 61' ' ' ARG . 8.0 mp -58.43 -58.91 6.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.7 t -53.35 -41.99 66.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.25 -61.86 2.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.168 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.585 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.67 -38.9 64.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 73' ' ' SER . 28.5 mm-40 -64.26 -50.64 67.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -52.95 -44.56 67.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.903 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.809 HD13 HD11 ' A' ' 39' ' ' LEU . 7.7 mt -64.04 -70.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.94 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 8.9 mt -60.24 -59.27 5.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 69' ' ' GLU . 8.6 t 42.31 36.99 0.81 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.63 -100.52 2.66 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 130.67 19.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.626 2.218 . . . . 0.0 112.34 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 5.7 t -93.59 -55.82 3.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.2 m -149.55 122.13 8.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.0 p -80.47 -45.08 18.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.833 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.9 p -55.89 177.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 63.18 106.34 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -69.06 95.48 0.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -113.02 167.14 10.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.46 -102.14 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -124.16 25.39 7.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -134.0 160.02 38.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -103.06 121.92 43.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.913 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -149.67 178.55 8.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 -136.32 152.24 50.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.434 ' O ' HD23 ' A' ' 39' ' ' LEU . 2.8 tp-100 -97.31 141.05 30.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.407 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -98.43 145.5 26.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.14 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.568 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -52.01 -48.56 40.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.176 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.531 ' NE2' HG21 ' A' ' 28' ' ' THR . 31.9 mm-40 -39.99 -69.39 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.915 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.407 ' H ' HG23 ' A' ' 14' ' ' THR . 80.8 mm-40 -65.35 -42.1 93.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.418 ' HD1' HD11 ' A' ' 71' ' ' LEU . 1.9 t80 -52.3 -24.03 6.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.575 HD11 ' CD1' ' A' ' 31' ' ' LEU . 92.9 mt -92.65 -40.1 10.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -51.72 -29.06 17.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -72.12 -40.17 68.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.543 ' HB ' HD23 ' A' ' 24' ' ' LEU . 11.5 pt -95.93 3.83 9.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.9 m-70 62.79 40.56 9.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.543 HD23 ' HB ' ' A' ' 22' ' ' ILE . 3.8 mm? -118.12 13.65 13.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.968 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.418 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.3 OUTLIER -58.49 -14.18 7.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.922 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -69.45 -9.87 55.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.462 ' CE2' HD12 ' A' ' 24' ' ' LEU . 97.6 m-85 -107.43 -5.84 17.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.946 -179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.531 HG21 ' NE2' ' A' ' 16' ' ' GLN . 89.5 m -39.63 -74.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.116 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 33.3 p -39.41 -49.31 2.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.836 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.49 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 23.1 m -56.33 -36.77 69.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.144 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -77.46 -51.07 11.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.507 HD23 ' O ' ' A' ' 36' ' ' TYR . 45.7 mt -57.77 -60.92 2.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.913 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -46.2 -35.15 4.89 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.8 m-80 -74.18 -28.77 61.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 138.22 -32.98 2.28 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.464 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.507 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.6 m-85 -58.51 101.45 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.851 0.358 . . . . 0.0 110.939 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.436 ' C ' HD13 ' A' ' 15' ' ' ILE . 14.0 mt-10 -100.17 -45.29 5.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.894 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 57.9 p -134.3 163.75 28.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.158 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.646 HD11 ' CD1' ' A' ' 71' ' ' LEU . 1.4 mm? -41.21 -39.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -41.27 -41.87 2.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.462 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 10.5 m-20 -73.18 -42.98 62.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.836 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.901 ' O ' HG22 ' A' ' 45' ' ' ILE . 66.8 mt -58.57 -18.89 33.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.871 ' HA ' HD13 ' A' ' 72' ' ' LEU . 8.8 ptmt -58.95 -19.34 42.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.94 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -118.97 29.17 7.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.901 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.3 tt -103.31 133.5 47.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -119.0 169.64 9.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -49.18 -44.47 43.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 20.3 m -57.32 -51.24 70.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -42.82 -54.12 4.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.804 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.138 HD22 HD13 ' A' ' 64' ' ' LEU . 25.6 mt -52.1 -47.72 65.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.945 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.417 HG12 ' NH1' ' A' ' 61' ' ' ARG . 56.2 mt -49.59 -55.59 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.124 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -61.07 -21.15 63.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.419 ' O ' HG21 ' A' ' 30' ' ' THR . 91.7 mt -84.93 19.85 2.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.885 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 71.78 24.93 3.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 55' ' ' ILE . 9.8 mt -107.81 28.76 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.152 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.59 -26.0 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.114 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.1 m-20 -73.97 130.64 82.63 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.615 0.722 . . . . 0.0 110.906 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -39.93 5.97 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.722 2.281 . . . . 0.0 112.348 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -46.63 -35.95 6.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.909 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.478 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 18.4 m-20 -86.42 -46.43 10.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.955 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.7 mtm-85 -54.2 -55.32 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.01 -54.0 50.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 72.2 mtt-85 -56.59 -38.34 71.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.138 HD13 HD22 ' A' ' 50' ' ' LEU . 2.4 tt -69.32 -37.45 77.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.3 mt -76.18 -63.15 1.39 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 43.6 t -47.03 -20.59 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -86.7 -54.01 4.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.562 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -61.73 -32.12 72.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.3 pt-20 -64.57 -47.43 78.75 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.474 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.1 t -58.84 -43.76 90.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.646 ' CD1' HD11 ' A' ' 39' ' ' LEU . 3.1 mt -70.04 -56.25 7.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.871 HD13 ' HA ' ' A' ' 43' ' ' LYS . 9.8 mt -71.96 145.74 48.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 22.2 p -37.71 -45.94 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 123.94 143.7 6.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.485 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 165.87 29.46 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.671 2.248 . . . . 0.0 112.381 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.1 t -46.81 -56.94 5.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.833 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 62.4 m -103.24 109.76 21.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.894 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 m -134.1 147.65 50.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.819 0.342 . . . . 0.0 110.887 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.2 p -174.97 151.13 1.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.824 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.17 48.76 3.13 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.9 p -166.91 107.31 0.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 -179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.5 t -154.37 166.22 33.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.829 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.67 44.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.525 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 -92.74 100.91 13.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.348 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.66 19.75 5.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -97.09 102.53 14.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -90.42 143.0 27.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 7.0 p-80 -110.85 122.59 48.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.84 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.7 tp-100 -101.33 129.85 47.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 t -85.64 128.11 34.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.518 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -37.94 -59.25 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.5 ' N ' HG22 ' A' ' 15' ' ' ILE . 8.1 mt-30 -34.11 -62.03 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.901 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -65.02 -44.86 87.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.722 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.5 t80 -53.69 -28.37 33.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 22' ' ' ILE . 65.9 mt -84.78 -45.63 12.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -43.74 -35.37 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.523 ' NH1' HD21 ' A' ' 71' ' ' LEU . 6.8 ptm180 -66.87 -46.22 75.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.638 HD12 HD23 ' A' ' 24' ' ' LEU . 15.3 pt -88.09 0.72 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.128 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.6 m-70 63.74 36.92 10.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.85 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.638 HD23 HD12 ' A' ' 22' ' ' ILE . 2.1 mm? -113.87 20.7 15.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.3 pm0 -61.01 -13.47 16.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -67.4 -17.0 64.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.604 ' CE2' HD12 ' A' ' 24' ' ' LEU . 71.5 m-85 -102.46 -7.07 22.24 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.945 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.441 HG22 ' CD1' ' A' ' 32' ' ' LEU . 44.0 m -37.79 -73.54 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.127 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 7.1 p -42.79 -48.65 5.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.631 HG21 ' O ' ' A' ' 53' ' ' LEU . 63.9 m -55.64 -38.71 69.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.162 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -75.37 -52.87 9.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 ' CD1' HG22 ' A' ' 28' ' ' THR . 35.4 mt -56.91 -57.43 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.7 mt -47.77 -48.38 30.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.409 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.0 m-80 -60.49 -34.11 73.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 144.05 -30.34 1.91 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.455 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.452 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 97.6 m-85 -59.59 91.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.918 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.512 ' C ' HD13 ' A' ' 15' ' ' ILE . 16.0 mt-10 -90.69 -44.15 9.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.46 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 80.8 p -134.11 168.94 17.92 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.137 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.948 HD11 HD13 ' A' ' 71' ' ' LEU . 9.0 mt -45.95 -42.23 12.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -42.47 -33.56 0.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.452 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 4.9 m-20 -79.22 -37.74 37.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.727 ' O ' HG22 ' A' ' 45' ' ' ILE . 88.6 mt -67.95 -30.55 69.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 7.1 ptmt -50.53 -23.53 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -113.04 32.68 5.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.727 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.4 tt -101.76 145.46 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.139 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' A' ' 47' ' ' GLU . 15.5 mmtp -126.25 150.28 48.51 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 46' ' ' LYS . 34.3 tt0 -37.84 -37.61 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 95.2 p -63.68 -49.93 71.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.804 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 23.9 m80 -44.32 -52.91 7.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.101 HD22 HD13 ' A' ' 64' ' ' LEU . 34.8 mt -50.46 -49.27 55.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.8 mt -51.05 -53.43 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.131 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -63.05 -21.88 66.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.631 ' O ' HG21 ' A' ' 30' ' ' THR . 86.7 mt -84.02 17.88 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.5 m120 75.0 25.06 1.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.544 ' O ' HG22 ' A' ' 55' ' ' ILE . 14.9 mt -108.8 30.08 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.74 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 1.7 m-20 -75.63 130.19 79.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.635 0.731 . . . . 0.0 110.845 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -44.14 2.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.675 2.25 . . . . 0.0 112.325 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -43.1 -30.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.493 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 20.4 m-20 -90.99 -43.53 9.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.967 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.8 mtm-85 -56.67 -50.88 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.863 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.38 -48.64 80.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 31.9 mtt180 -62.13 -37.04 83.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.832 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.101 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -70.27 -45.71 65.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.627 ' HG ' HD11 ' A' ' 50' ' ' LEU . 6.2 mt -71.38 -59.92 2.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.907 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -52.92 -18.61 2.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -87.84 -56.55 3.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.69 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -58.45 -32.83 69.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.064 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' SER . 15.0 pt-20 -65.57 -48.42 72.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.489 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.55 -38.88 72.5 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.846 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.948 HD13 HD11 ' A' ' 39' ' ' LEU . 15.0 mt -63.97 -56.58 14.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 14.4 mt -73.11 -17.25 61.42 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 69' ' ' GLU . 3.0 m -65.31 -56.09 14.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -138.88 154.07 23.03 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 1.25 4.57 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.683 2.255 . . . . 0.0 112.352 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.3 t -37.93 114.72 0.37 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 38.1 t -125.64 104.08 8.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.475 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.1 m -77.29 -58.17 3.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.863 0.363 . . . . 0.0 110.841 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -61.75 132.18 52.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.6 89.52 0.83 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -72.12 105.94 4.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.2 t -63.77 90.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.62 -128.34 9.34 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.6 ttt180 59.29 45.48 14.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.801 0.334 . . . . 0.0 110.871 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.6 ttt180 -116.77 162.2 18.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -101.26 41.99 1.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -152.62 142.46 22.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 23.3 m-70 -133.71 137.3 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' OE1' ' N ' ' A' ' 14' ' ' THR . 1.9 tp-100 -99.37 138.09 36.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.565 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.1 t -101.86 124.57 47.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.169 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.59 HG13 HD11 ' A' ' 42' ' ' LEU . 1.2 mp -35.65 -48.05 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.103 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -45.69 -46.82 15.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.946 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.565 ' H ' HG23 ' A' ' 14' ' ' THR . 34.7 mt-10 -80.69 -41.52 23.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.921 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.65 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.1 t80 -58.31 -23.66 57.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.752 HD11 ' CD1' ' A' ' 31' ' ' LEU . 63.9 mt -87.78 -45.83 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -48.08 -36.8 13.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptt180 -62.88 -39.45 94.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.698 HD12 HD23 ' A' ' 24' ' ' LEU . 13.2 pt -95.9 2.66 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 63.83 36.82 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.698 HD23 HD12 ' A' ' 22' ' ' ILE . 2.0 mm? -114.01 17.56 17.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.938 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' H ' ' NE2' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -57.27 -12.41 2.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -69.32 -14.99 63.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.612 ' CE2' HD12 ' A' ' 24' ' ' LEU . 60.2 m-85 -104.53 -6.46 20.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.942 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.7 m -40.47 -73.83 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.2 p -42.39 -50.13 5.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 53' ' ' LEU . 50.2 m -54.26 -38.92 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.752 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.1 mt -74.81 -51.1 14.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.425 HD23 ' O ' ' A' ' 36' ' ' TYR . 42.2 mt -57.91 -58.71 7.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 6.9 mt -46.95 -44.17 19.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.412 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.7 m-80 -64.6 -36.14 83.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.907 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.57 -34.31 1.38 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.425 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.1 m-85 -56.13 96.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.459 ' C ' HD13 ' A' ' 15' ' ' ILE . 15.2 mt-10 -96.05 -46.83 6.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.412 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 72.7 p -129.58 167.38 18.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.621 HD11 HD13 ' A' ' 71' ' ' LEU . 8.3 mt -43.5 -43.92 5.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' A' ' 41' ' ' ASP . 0.5 OUTLIER -41.17 -42.28 2.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.856 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.492 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 13.8 m-20 -69.51 -34.78 74.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.721 ' O ' HG22 ' A' ' 45' ' ' ILE . 57.6 mt -70.14 -22.22 63.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -59.05 -21.26 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -113.02 28.75 8.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.721 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.1 tt -99.23 144.13 12.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.2 mmmm -128.52 154.44 46.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -39.75 -40.84 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.0 p -61.54 -51.51 68.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.408 ' CD2' ' OH ' ' A' ' 36' ' ' TYR . 18.4 m80 -42.81 -54.42 4.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.076 HD22 HD13 ' A' ' 64' ' ' LEU . 39.2 mt -49.35 -49.85 42.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.5 mt -51.85 -52.93 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -62.79 -21.06 65.6 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.589 ' O ' HG21 ' A' ' 30' ' ' THR . 89.5 mt -85.54 19.69 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 20.6 t30 73.6 25.02 2.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.494 ' O ' ' N ' ' A' ' 57' ' ' ASP . 7.7 mt -109.47 29.64 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.093 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -38.56 -26.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 4.7 m-20 -74.0 129.68 84.33 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.613 0.721 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -42.15 3.74 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.734 2.289 . . . . 0.0 112.339 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -44.51 -33.76 1.85 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.504 ' OD1' HD11 ' A' ' 24' ' ' LEU . 36.3 m-20 -88.5 -45.19 10.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.957 ' HA ' HD13 ' A' ' 50' ' ' LEU . 74.7 mtm-85 -53.61 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.39 -53.07 61.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.499 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 39.1 mtt-85 -58.16 -35.96 72.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.809 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.076 HD13 HD22 ' A' ' 50' ' ' LEU . 2.4 tt -71.59 -39.83 70.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.66 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.3 mt -77.25 -63.68 1.31 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 57.5 m -50.1 -18.69 0.6 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -86.4 -55.05 4.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.114 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.698 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -60.4 -30.58 69.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.118 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.47 ' CG ' ' N ' ' A' ' 70' ' ' SER . 16.5 pt-20 -68.85 -47.33 66.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.47 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.0 OUTLIER -57.36 -32.06 66.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.824 -179.761 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.698 HD12 ' HA ' ' A' ' 68' ' ' ALA . 12.3 mt -73.21 -58.06 3.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 73' ' ' SER . 17.7 mt -64.25 -56.43 14.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 72' ' ' LEU . 7.0 t -34.57 -53.88 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 80.9 88.04 0.59 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.518 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -11.85 31.65 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.294 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 23.7 m -74.36 94.54 2.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.6 m -73.48 116.06 13.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.995 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.0 t -149.76 131.66 15.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.857 0.361 . . . . 0.0 110.883 -179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.4 t -106.29 139.33 40.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.66 -45.58 0.41 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.516 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -119.87 141.73 49.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.2 t -53.85 134.27 42.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -108.08 -101.39 2.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.421 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.8 ttt180 -118.52 105.69 11.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -85.43 174.32 9.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.868 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -66.12 109.83 2.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.868 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -122.8 -179.37 4.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.827 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -130.88 152.8 49.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' OE1' ' N ' ' A' ' 14' ' ' THR . 3.4 tp-100 -104.06 139.64 38.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.466 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 4.4 t -97.56 135.94 38.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.579 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.3 mp -41.47 -46.99 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.165 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.406 ' CD ' HG21 ' A' ' 28' ' ' THR . 30.7 mm-40 -44.55 -69.49 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' H ' HG23 ' A' ' 14' ' ' THR . 53.8 mm-40 -61.6 -35.57 78.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.468 ' HD1' HD11 ' A' ' 71' ' ' LEU . 2.1 t80 -61.13 -30.74 70.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.761 HD11 ' CD1' ' A' ' 31' ' ' LEU . 75.5 mt -84.86 -40.13 17.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -48.92 -42.95 38.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.656 HH11 HG23 ' A' ' 22' ' ' ILE . 4.4 ptm180 -57.8 -40.45 79.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.079 HD12 HD12 ' A' ' 24' ' ' LEU . 10.3 pt -95.41 8.73 6.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.105 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 54.53 41.74 31.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.84 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.079 HD12 HD12 ' A' ' 22' ' ' ILE . 28.1 mt -117.42 20.04 13.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -59.45 -12.84 6.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.565 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 14.1 pt-20 -69.14 -21.18 64.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.565 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 94.8 m-85 -97.93 -5.34 34.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.406 HG21 ' CD ' ' A' ' 16' ' ' GLN . 26.8 m -42.49 -72.29 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.191 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.437 ' O ' HD13 ' A' ' 33' ' ' LEU . 63.9 p -41.65 -47.55 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.457 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 29.9 m -57.54 -39.45 76.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.146 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.761 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.7 mt -73.32 -47.7 40.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.98 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 36' ' ' TYR . 49.9 mt -62.94 -60.85 2.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 29' ' ' SER . 10.1 mp -44.88 -35.58 2.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.971 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.457 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -74.12 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.49 -35.31 1.13 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.476 ' O ' HD23 ' A' ' 32' ' ' LEU . 97.8 m-85 -55.58 98.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.936 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.579 ' C ' HD13 ' A' ' 15' ' ' ILE . 16.1 mt-10 -98.95 -43.52 6.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.454 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 76.2 p -131.21 167.18 19.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.643 HD11 HD13 ' A' ' 71' ' ' LEU . 4.5 mt -48.44 -38.98 21.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -46.01 -28.99 1.3 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -82.23 -40.57 21.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.847 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.766 ' O ' HG22 ' A' ' 45' ' ' ILE . 62.3 mt -62.87 -27.38 69.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.919 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.735 ' HA ' HD13 ' A' ' 72' ' ' LEU . 7.6 ptmt -55.87 -17.32 6.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.934 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -117.03 29.7 7.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.8 tt -104.05 144.91 13.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -127.65 158.67 36.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' CG ' ' HE ' ' A' ' 61' ' ' ARG . 45.2 tt0 -42.03 -43.46 3.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.407 ' HA ' HD12 ' A' ' 51' ' ' ILE . 89.1 p -56.78 -54.81 42.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.864 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -40.6 -57.33 1.89 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.716 HD13 ' HA ' ' A' ' 61' ' ' ARG . 15.8 mt -49.53 -52.98 26.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.42 HG12 ' NH1' ' A' ' 61' ' ' ARG . 74.0 mt -46.73 -53.47 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -63.88 -22.63 67.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.411 ' O ' HG21 ' A' ' 30' ' ' THR . 88.9 mt -84.48 19.01 2.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 74.92 24.98 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.542 HD12 ' HB3' ' A' ' 50' ' ' LEU . 4.8 mt -110.36 31.04 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.184 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.408 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -43.69 -22.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.418 ' N ' ' C ' ' A' ' 55' ' ' ILE . 5.1 t70 -73.98 133.24 79.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.644 0.735 . . . . 0.0 110.833 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -45.55 1.56 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.662 2.241 . . . . 0.0 112.365 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -48.06 -34.93 10.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -83.35 -45.98 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.819 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.716 ' HA ' HD13 ' A' ' 50' ' ' LEU . 71.2 mtm-85 -59.51 -58.99 6.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.864 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -50.9 -55.65 16.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 52.6 mtt-85 -53.69 -38.34 64.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.412 HD13 HD22 ' A' ' 50' ' ' LEU . 1.2 tt -67.87 -49.45 62.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.8 mt -64.88 -60.37 3.15 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -52.75 -16.04 0.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 63' ' ' ARG . . . -86.63 -52.99 5.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.079 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -63.37 -35.74 81.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.108 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.528 ' CG ' ' N ' ' A' ' 70' ' ' SER . 4.7 pt-20 -60.37 -50.22 74.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.528 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 3.4 t -55.89 -40.69 73.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.643 HD13 HD11 ' A' ' 39' ' ' LEU . 6.9 mt -70.38 -63.34 1.11 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.735 HD13 ' HA ' ' A' ' 43' ' ' LYS . 4.2 mt -70.38 165.1 23.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 52.8 p -106.77 39.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -106.78 84.97 0.41 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.512 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 166.2 28.37 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 33.6 p -131.48 123.15 27.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 26.6 p 42.44 44.12 3.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.851 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.524 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.1 m -93.89 93.04 7.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.349 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 m -99.48 173.81 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.62 133.47 5.94 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.433 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -101.22 90.83 4.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.863 0.363 . . . . 0.0 110.872 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.3 p -69.18 -47.27 65.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.4 162.92 31.78 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.472 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.1 ptt-85 -95.08 31.74 1.83 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.864 0.364 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.7 tpt180 -158.43 147.64 19.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.577 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 15.6 pt-20 -72.96 -0.57 14.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' A' ' 10' ' ' GLU . 15.8 m-80 35.01 34.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.577 ' CE1' ' HB2' ' A' ' 10' ' ' GLU . 63.3 m170 -77.93 128.46 33.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.493 ' OE1' ' N ' ' A' ' 14' ' ' THR . 2.8 tp-100 -91.66 137.35 32.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.493 ' N ' ' OE1' ' A' ' 13' ' ' GLN . 10.1 t -98.46 132.56 43.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.146 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.562 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -37.21 -57.47 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.582 ' NE2' ' H ' ' A' ' 16' ' ' GLN . 2.5 mp0 -34.92 -70.56 0.08 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.443 ' H ' HG23 ' A' ' 14' ' ' THR . 73.9 mm-40 -60.58 -42.01 95.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.2 t80 -54.43 -28.77 46.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.589 HD23 HD11 ' A' ' 22' ' ' ILE . 96.7 mt -86.01 -37.75 18.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -50.89 -33.04 22.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -68.74 -39.93 80.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.838 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.031 HD12 HD12 ' A' ' 24' ' ' LEU . 11.6 pt -94.42 7.88 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 m-70 54.69 35.36 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.031 HD12 HD12 ' A' ' 22' ' ' ILE . 44.5 mt -115.06 16.89 17.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -58.13 -12.51 3.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.417 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 12.0 pt-20 -67.48 -10.07 48.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.417 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 93.4 m-85 -108.85 0.63 20.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.91 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.46 HG22 ' CD1' ' A' ' 32' ' ' LEU . 84.7 m -45.62 -73.21 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.174 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.7 p -39.88 -49.46 2.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.491 HG21 ' O ' ' A' ' 53' ' ' LEU . 6.5 m -55.83 -38.69 70.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.186 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.586 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.4 mt -74.9 -48.07 26.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.48 HD23 ' O ' ' A' ' 36' ' ' TYR . 32.7 mt -62.13 -60.61 3.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.7 mt -45.65 -37.23 5.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 30' ' ' THR . 2.9 m-80 -71.54 -38.01 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 148.38 -32.15 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.444 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.48 ' O ' HD23 ' A' ' 32' ' ' LEU . 93.8 m-85 -60.48 97.72 0.06 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.872 0.367 . . . . 0.0 110.927 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.562 ' C ' HD13 ' A' ' 15' ' ' ILE . 43.6 mt-10 -96.97 -44.86 6.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.401 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 70.1 p -133.25 168.07 19.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.149 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.755 HD11 HD13 ' A' ' 71' ' ' LEU . 5.6 mt -47.12 -36.34 8.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.498 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 14.7 t70 -46.02 -33.5 3.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -84.62 -36.24 22.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.815 ' O ' HG22 ' A' ' 45' ' ' ILE . 41.4 mt -61.55 -34.24 75.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 0.2 OUTLIER -55.06 -14.61 1.63 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.829 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -115.26 25.83 10.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.815 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.1 tt -103.51 144.03 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.09 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -127.3 156.24 42.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -39.71 -40.65 0.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.42 ' HA ' HD12 ' A' ' 51' ' ' ILE . 84.3 p -60.72 -51.99 67.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.441 ' CD2' ' OH ' ' A' ' 36' ' ' TYR . 51.8 m80 -43.03 -55.2 3.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.988 HD13 ' HA ' ' A' ' 61' ' ' ARG . 26.9 mt -48.45 -48.58 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.437 HG12 ' NH1' ' A' ' 61' ' ' ARG . 71.2 mt -52.24 -52.74 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.108 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 57.4 mt-10 -62.3 -20.5 64.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.491 ' O ' HG21 ' A' ' 30' ' ' THR . 86.6 mt -89.54 23.85 2.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 22.8 m120 68.71 24.97 6.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 50' ' ' LEU . 10.1 mt -106.29 27.35 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.66 -24.21 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.468 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -73.9 131.59 81.37 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.841 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -36.53 10.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.334 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -48.6 -42.92 35.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' OD1' ' CD2' ' A' ' 24' ' ' LEU . 32.5 m-20 -78.65 -47.96 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.988 ' HA ' HD13 ' A' ' 50' ' ' LEU . 70.8 mtm-85 -54.4 -65.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.909 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' HA ' HD12 ' A' ' 65' ' ' LEU . . . -43.39 -58.24 2.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.089 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 34.5 mtt-85 -53.89 -49.91 67.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.88 HD13 HD22 ' A' ' 50' ' ' LEU . 1.5 tt -56.04 -35.12 66.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' A' ' 62' ' ' ALA . 9.6 mt -74.68 -53.96 8.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.6 t -59.02 -18.09 31.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -83.68 -57.02 3.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.069 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.484 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -60.4 -33.67 72.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.51 ' CG ' ' N ' ' A' ' 70' ' ' SER . 11.9 pt-20 -65.04 -49.27 70.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.51 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 1.2 t -56.73 -42.74 79.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.83 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.755 HD13 HD11 ' A' ' 39' ' ' LEU . 7.6 mt -68.59 -63.13 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.452 HD13 ' HA ' ' A' ' 43' ' ' LYS . 9.0 mt -71.25 -66.8 0.57 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.1 t -85.75 70.4 10.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.9 -159.92 11.79 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.463 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.71 124.26 10.92 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.6 t -68.98 -44.74 72.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.833 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 32.6 t -39.92 -61.88 0.79 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.873 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.448 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t 52.94 42.26 32.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.875 0.369 . . . . 0.0 110.825 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.6 p -77.04 82.61 3.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.4 -88.93 0.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.511 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.6 t -119.91 162.37 19.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.6 p -139.29 173.01 11.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 8' ' ' ARG . . . 144.42 -134.26 5.61 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.526 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 7' ' ' GLY . 3.7 tmm_? 35.23 54.98 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.806 0.336 . . . . 0.0 110.872 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.64 -179.61 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.61 152.84 43.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -64.96 179.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -135.1 146.95 49.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.462 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.0 tp-100 -107.29 141.29 38.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.924 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 17' ' ' GLU . 11.0 t -99.48 147.6 25.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.668 HD13 ' C ' ' A' ' 37' ' ' GLU . 1.4 mp -53.17 -44.36 52.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.55 ' NE2' HG21 ' A' ' 28' ' ' THR . 0.1 OUTLIER -43.72 -68.66 0.18 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.92 179.905 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' H ' HG23 ' A' ' 14' ' ' THR . 14.0 mt-10 -66.32 -39.55 89.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.899 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.452 ' HD1' HD11 ' A' ' 71' ' ' LEU . 1.9 t80 -54.26 -26.33 28.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.759 HD23 HD11 ' A' ' 22' ' ' ILE . 86.5 mt -90.41 -40.39 12.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.444 ' HA ' ' NE2' ' A' ' 25' ' ' GLN . 10.2 mt-10 -51.38 -23.16 3.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.902 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 1.7 ptp180 -79.41 -38.26 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.813 HD12 HD12 ' A' ' 24' ' ' LEU . 6.1 pt -94.64 8.96 5.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 55.4 33.45 20.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.813 HD12 HD12 ' A' ' 22' ' ' ILE . 19.1 mt -116.3 25.16 10.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.444 ' NE2' ' HA ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -67.19 -7.77 26.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.956 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.506 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.5 pt-20 -71.9 -12.32 61.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.506 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.5 m-85 -106.3 -8.06 17.45 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.55 HG21 ' NE2' ' A' ' 16' ' ' GLN . 89.4 m -38.18 -71.34 0.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.125 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.423 ' O ' HD13 ' A' ' 33' ' ' LEU . 11.6 p -39.95 -50.04 2.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.438 HG21 ' O ' ' A' ' 53' ' ' LEU . 52.7 m -55.5 -36.43 66.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.158 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.544 ' CD1' HD11 ' A' ' 19' ' ' LEU . 11.6 mt -77.86 -52.2 9.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.547 ' CD1' HG22 ' A' ' 28' ' ' THR . 19.7 mt -57.2 -57.97 10.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 29' ' ' SER . 9.0 mp -48.35 -41.96 30.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -68.94 -28.65 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 139.29 -38.53 1.64 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.488 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.4 ' O ' HD23 ' A' ' 32' ' ' LEU . 78.6 m-85 -57.7 100.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.844 0.354 . . . . 0.0 110.919 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.668 ' C ' HD13 ' A' ' 15' ' ' ILE . 25.7 mt-10 -110.96 -31.64 7.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.494 ' N ' HD13 ' A' ' 15' ' ' ILE . 34.9 p -132.16 156.48 46.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.17 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.906 HD11 HD13 ' A' ' 71' ' ' LEU . 9.3 mt -43.7 -45.81 7.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -40.26 -38.66 0.81 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.873 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -75.25 -34.45 61.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.998 ' O ' HG22 ' A' ' 45' ' ' ILE . 27.3 mt -65.52 -21.32 66.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.453 ' HA ' ' CD1' ' A' ' 72' ' ' LEU . 6.8 ptmt -67.26 -11.95 58.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.5 t0 -110.37 -2.46 16.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.998 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.5 tt -84.81 148.24 5.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.16 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.56 172.15 12.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.839 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -50.41 -49.89 53.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -55.44 -49.33 72.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.859 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.419 ' CB ' HG13 ' A' ' 45' ' ' ILE . 41.5 m80 -45.37 -55.98 5.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 61' ' ' ARG . 23.8 mt -50.58 -51.11 51.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.433 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 62.8 mt -47.94 -50.06 10.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.076 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -66.39 -20.9 66.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.438 ' O ' HG21 ' A' ' 30' ' ' THR . 95.5 mt -87.56 21.5 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 74.65 26.86 1.37 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.584 HD12 ' HB3' ' A' ' 50' ' ' LEU . 8.2 mt -113.09 30.02 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.134 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.12 -22.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.074 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.416 ' N ' ' C ' ' A' ' 55' ' ' ILE . 4.6 m-20 -75.44 131.73 77.09 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.615 0.721 . . . . 0.0 110.824 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -33.85 15.74 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.264 . . . . 0.0 112.376 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -52.27 -46.82 65.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 22.6 m-20 -74.84 -48.62 24.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.759 ' HA ' HD13 ' A' ' 50' ' ' LEU . 60.1 mtm-85 -52.7 -59.7 4.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -51.8 -54.21 31.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.3 mtt180 -56.38 -26.72 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.447 HD13 HD22 ' A' ' 50' ' ' LEU . 1.6 tt -83.45 -34.24 25.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 mt -77.13 -55.88 5.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.87 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.3 m -59.96 -17.69 39.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -84.82 -53.55 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.058 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.468 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -63.19 -32.4 73.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.157 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' CG ' ' N ' ' A' ' 70' ' ' SER . 10.1 pt-20 -66.07 -48.96 69.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.498 ' N ' ' CG ' ' A' ' 69' ' ' GLU . 4.5 t -55.89 -39.7 71.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.906 HD13 HD11 ' A' ' 39' ' ' LEU . 8.4 mt -71.94 -69.85 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.453 ' CD1' ' HA ' ' A' ' 43' ' ' LYS . 97.1 mt -48.31 -36.19 13.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.7 t -91.72 59.18 3.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 81.81 85.52 0.74 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.509 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 103.66 1.2 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.652 2.235 . . . . 0.0 112.358 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.8 t -109.42 128.13 54.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.4 m 45.44 45.28 10.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.533 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.0 p -40.98 -61.41 0.99 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.823 0.344 . . . . 0.0 110.853 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -97.3 173.31 7.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.814 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.52 42.13 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.2 p -89.82 132.16 35.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.901 0.382 . . . . 0.0 110.86 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -96.34 41.89 1.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.7 95.52 1.89 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.509 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.9 ttt180 -82.95 83.83 7.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.841 0.353 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 38.5 mtt-85 -117.62 -177.24 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -122.74 108.74 13.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.411 ' H ' ' ND2' ' A' ' 11' ' ' ASN . 7.1 m-80 -58.05 155.7 10.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 35.7 m170 -123.65 145.3 49.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -106.21 139.2 41.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.8 t -90.86 146.52 23.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.182 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.84 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -57.29 -51.22 72.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -41.65 -64.36 0.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.952 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.519 ' H ' HG23 ' A' ' 14' ' ' THR . 27.4 mt-10 -65.3 -43.12 92.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CD1' HD11 ' A' ' 71' ' ' LEU . 1.4 t80 -51.36 -36.28 42.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.567 HD11 ' CD1' ' A' ' 31' ' ' LEU . 91.1 mt -79.29 -35.76 40.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.905 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -49.36 -35.92 20.08 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.502 ' CG ' ' N ' ' A' ' 22' ' ' ILE . 7.6 ptm180 -63.4 -48.09 79.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.665 ' CG1' HD23 ' A' ' 24' ' ' LEU . 9.9 pt -91.07 1.83 8.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' LEU . 21.1 m-70 63.66 38.09 9.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.665 HD23 ' CG1' ' A' ' 22' ' ' ILE . 3.8 mm? -107.7 10.16 29.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 26.7 pt20 -53.94 -18.54 3.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.538 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 17.5 pt-20 -65.95 -8.51 23.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 98.0 m-85 -110.43 -1.33 17.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.955 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.428 HG22 ' CD1' ' A' ' 32' ' ' LEU . 89.5 m -42.59 -73.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.118 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 8.8 m -41.52 -49.39 4.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.668 HG21 ' O ' ' A' ' 53' ' ' LEU . 29.6 m -54.59 -36.39 64.36 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.156 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.567 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.0 mt -78.67 -49.63 12.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD1' HG22 ' A' ' 28' ' ' THR . 51.9 mt -58.54 -59.01 6.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.909 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 7.1 mp -47.11 -37.65 10.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -71.74 -30.36 65.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 137.67 -28.53 2.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 99.0 m-85 -62.79 94.66 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.826 0.346 . . . . 0.0 110.919 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' HD13 ' A' ' 15' ' ' ILE . 21.1 mt-10 -96.77 -39.59 9.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.5 p -134.19 164.26 27.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.852 HD11 ' CD1' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -47.05 -44.31 20.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -39.96 -33.59 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.848 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.48 -39.31 22.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.84 HD11 HG13 ' A' ' 15' ' ' ILE . 26.0 mt -61.3 -21.02 63.58 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HA ' HD13 ' A' ' 72' ' ' LEU . 10.0 ptmt -60.7 -9.68 4.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.895 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -111.18 -18.61 12.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.717 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.0 tt -63.18 139.34 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -128.17 178.49 6.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -51.29 -46.82 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.4 p -59.7 -55.24 36.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.432 ' CB ' HG13 ' A' ' 45' ' ' ILE . 67.3 m80 -41.04 -56.49 2.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.067 HD22 HD13 ' A' ' 64' ' ' LEU . 29.2 mt -48.54 -48.75 38.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.4 ' CG1' ' HD3' ' A' ' 61' ' ' ARG . 66.5 mt -52.58 -50.06 42.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.138 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -66.71 -20.97 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.668 ' O ' HG21 ' A' ' 30' ' ' THR . 95.2 mt -87.77 21.66 2.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 74.62 26.19 1.47 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 60' ' ' ASP . 9.9 mt -112.9 30.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.174 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.57 -22.66 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -76.85 133.07 70.25 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.631 0.729 . . . . 0.0 110.858 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -32.12 19.36 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -53.33 -49.51 66.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.927 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.513 ' HB2' HG23 ' A' ' 55' ' ' ILE . 29.8 m-20 -72.83 -49.18 31.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.85 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.933 ' HA ' HD13 ' A' ' 50' ' ' LEU . 67.3 mtm-85 -48.94 -59.38 3.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.81 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -52.43 -54.89 26.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.8 mtt85 -53.35 -39.17 63.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.067 HD13 HD22 ' A' ' 50' ' ' LEU . 1.8 tt -68.34 -56.27 9.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.623 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.1 mt -59.49 -68.58 0.27 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.918 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.9 t -39.29 -43.22 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.68 -49.18 64.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.46 -52.41 65.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -51.56 -34.53 37.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.5 t -68.34 -48.24 65.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.802 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.852 ' CD1' HD11 ' A' ' 39' ' ' LEU . 13.2 mt -62.6 -51.35 67.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 43' ' ' LYS . 13.8 mt -80.05 154.63 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.928 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 17.0 m -101.88 48.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -103.06 146.18 16.49 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.515 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.71 146.6 60.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.674 2.249 . . . . 0.0 112.395 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 14.7 m -111.71 35.43 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.4 p -79.78 147.56 31.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -102.58 133.61 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -135.96 140.41 43.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.55 102.94 2.85 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.474 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.5 t -131.62 90.28 2.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.913 0.387 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.1 m -123.34 158.29 31.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.833 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.62 85.31 1.43 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.435 ' HB3' ' NH1' ' A' ' 8' ' ' ARG . 5.3 ptp180 -146.59 133.94 20.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.776 0.322 . . . . 0.0 110.881 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.97 130.08 36.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.827 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -64.4 100.77 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -98.12 -179.22 4.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 12.4 m80 -136.5 147.51 47.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.453 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 5.4 tp-100 -96.58 142.61 28.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.502 HG23 ' H ' ' A' ' 17' ' ' GLU . 10.5 t -105.72 126.57 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.742 HG13 HD11 ' A' ' 42' ' ' LEU . 1.3 mp -34.51 -60.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.135 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.534 ' N ' HG22 ' A' ' 15' ' ' ILE . 15.0 mt-30 -33.74 -63.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.502 ' H ' HG23 ' A' ' 14' ' ' THR . 3.9 mm-40 -66.51 -46.39 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.945 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.701 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.1 t80 -50.53 -24.83 3.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.487 HD11 ' CD1' ' A' ' 31' ' ' LEU . 86.4 mt -89.2 -41.94 11.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -48.43 -35.73 13.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.644 ' NH1' HD21 ' A' ' 71' ' ' LEU . 11.3 ptp180 -66.71 -44.6 81.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.478 HG23 ' HG3' ' A' ' 21' ' ' ARG . 28.6 pt -90.99 -0.26 9.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' LEU . 2.9 m-70 64.77 46.73 2.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.83 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.496 HD12 ' CD2' ' A' ' 27' ' ' TYR . 4.3 mm? -121.17 13.1 11.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.419 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.2 OUTLIER -56.44 -13.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.58 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 8.0 pt-20 -70.28 -9.1 55.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.58 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 97.7 m-85 -109.96 -9.25 14.77 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.453 HG22 ' CD1' ' A' ' 32' ' ' LEU . 20.9 m -36.33 -72.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 13.0 p -42.42 -50.98 5.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.606 HG21 ' O ' ' A' ' 53' ' ' LEU . 64.1 m -54.0 -38.59 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.487 ' CD1' HD11 ' A' ' 19' ' ' LEU . 10.5 mt -74.95 -54.59 6.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 28' ' ' THR . 39.1 mt -55.54 -58.73 6.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.2 mt -46.17 -41.09 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -70.31 -31.84 69.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.915 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 141.94 -37.42 1.59 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.465 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.404 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 99.3 m-85 -53.65 91.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.828 0.347 . . . . 0.0 110.927 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.437 ' C ' HD13 ' A' ' 15' ' ' ILE . 37.8 mt-10 -93.62 -43.3 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 76.8 p -132.21 167.54 19.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.842 HD11 HD13 ' A' ' 71' ' ' LEU . 6.4 mt -47.11 -38.13 10.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -45.19 -35.28 3.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.891 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.404 ' HB3' ' CD1' ' A' ' 36' ' ' TYR . 5.3 m-20 -80.37 -37.04 33.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.779 ' O ' HG22 ' A' ' 45' ' ' ILE . 46.9 mt -65.69 -32.91 74.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -52.92 -17.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -115.53 30.16 7.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.876 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.779 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.2 tt -104.1 147.47 10.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -127.74 152.25 47.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -39.46 -39.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.453 ' HA ' HD12 ' A' ' 51' ' ' ILE . 15.2 m -61.84 -51.94 66.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.811 -179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -42.32 -54.18 3.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.063 HD22 HD13 ' A' ' 64' ' ' LEU . 38.4 mt -49.28 -49.99 41.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 48' ' ' SER . 71.4 mt -49.98 -52.3 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.18 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.65 -22.24 66.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.889 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.606 ' O ' HG21 ' A' ' 30' ' ' THR . 91.8 mt -83.66 17.89 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.907 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 75.04 25.43 1.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 55' ' ' ILE . 13.8 mt -108.3 29.69 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.091 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -37.69 -27.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.056 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 55' ' ' ILE . 2.8 m-20 -74.17 129.2 84.91 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.574 0.702 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -36.71 10.12 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.705 2.27 . . . . 0.0 112.284 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -47.32 -39.81 15.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 21.0 m-20 -82.59 -46.87 12.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.901 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.938 ' HA ' HD13 ' A' ' 50' ' ' LEU . 72.3 mtm-85 -51.23 -55.48 17.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.99 -54.06 49.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.133 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.5 mtt-85 -55.48 -38.91 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.063 HD13 HD22 ' A' ' 50' ' ' LEU . 2.3 tt -68.21 -48.07 66.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.577 ' HG ' HD11 ' A' ' 50' ' ' LEU . 7.7 mt -68.52 -66.76 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -39.9 -39.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.405 ' HB2' HG21 ' A' ' 22' ' ' ILE . . . -66.99 -56.52 9.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.16 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.639 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -55.6 -37.81 68.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -58.63 -48.23 81.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.882 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 t -58.71 -48.3 81.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.872 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.842 HD13 HD11 ' A' ' 39' ' ' LEU . 11.4 mt -56.96 -50.85 71.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.939 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.9 mt -87.23 174.14 8.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 62.9 p -71.26 -46.63 60.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 133.59 145.96 5.43 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -3.63 12.41 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 79.9 p -42.74 97.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.797 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.9 t -132.88 115.71 15.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.889 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.531 179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.2 p -75.21 -31.27 60.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.871 -179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.9 p -120.82 36.46 4.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.36 141.02 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.512 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.9 p -130.18 123.4 30.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.863 0.363 . . . . 0.0 110.881 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -109.02 -58.14 2.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.82 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.88 121.21 1.33 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 26.2 ptt-85 -49.28 124.85 9.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 0.0 110.855 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 10' ' ' GLU . 35.9 mmt180 -139.82 175.59 9.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.823 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 9' ' ' ARG . 0.2 OUTLIER -35.08 147.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -106.12 156.2 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.401 ' CE1' ' HG2' ' A' ' 10' ' ' GLU . 26.4 m80 -136.74 137.41 39.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.856 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.465 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.5 tp-100 -94.54 135.23 36.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.509 HG23 ' H ' ' A' ' 17' ' ' GLU . 11.5 t -98.92 130.2 45.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.1 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 16' ' ' GLN . 1.4 mp -36.65 -58.87 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.168 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.486 ' N ' HG22 ' A' ' 15' ' ' ILE . 8.7 mt-30 -34.47 -63.07 0.31 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.509 ' H ' HG23 ' A' ' 14' ' ' THR . 56.9 mt-10 -66.18 -46.4 77.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.749 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.4 t80 -51.18 -25.93 6.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.931 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 22' ' ' ILE . 79.6 mt -88.51 -38.64 14.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -51.87 -29.8 21.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -75.41 -34.92 61.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.871 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 19' ' ' LEU . 6.7 pt -95.33 5.45 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 55.66 39.28 30.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.631 HD12 HD12 ' A' ' 22' ' ' ILE . 33.5 mt -124.99 19.82 8.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.1 OUTLIER -58.09 -14.14 6.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -65.0 -16.43 63.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.598 ' CE1' ' OD2' ' A' ' 60' ' ' ASP . 78.6 m-85 -99.19 0.15 42.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.946 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.468 ' O ' ' N ' ' A' ' 31' ' ' LEU . 90.1 m -47.42 -74.59 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -38.67 -46.26 1.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.892 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.52 HG21 ' O ' ' A' ' 53' ' ' LEU . 30.7 m -58.42 -38.91 78.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.149 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' A' ' 28' ' ' THR . 10.1 mt -75.87 -48.08 22.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.96 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.44 HD23 ' O ' ' A' ' 36' ' ' TYR . 62.6 mt -61.65 -58.62 7.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.938 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.4 mt -47.48 -38.64 14.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.3 m-80 -71.5 -31.18 66.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.99 -34.99 1.89 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.524 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.588 ' CE1' HD12 ' A' ' 45' ' ' ILE . 96.8 m-85 -57.22 95.8 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.831 0.348 . . . . 0.0 110.888 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' HD13 ' A' ' 15' ' ' ILE . 32.6 mt-10 -95.89 -45.88 6.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 74.8 p -131.1 168.72 16.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.156 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.841 HD11 HD13 ' A' ' 71' ' ' LEU . 5.4 mt -48.03 -43.05 29.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.916 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -40.38 -33.53 0.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.91 -39.78 23.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.735 ' O ' HG22 ' A' ' 45' ' ' ILE . 72.5 mt -61.56 -33.1 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -54.3 -16.2 2.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -117.16 28.64 8.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.735 HG22 ' O ' ' A' ' 42' ' ' LEU . 6.5 tt -103.37 145.8 12.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.08 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -126.28 157.04 39.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -41.56 -42.58 2.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.61 ' HA ' HD12 ' A' ' 51' ' ' ILE . 13.9 m -59.0 -54.86 42.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -40.61 -52.85 2.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.901 HD13 ' HA ' ' A' ' 61' ' ' ARG . 54.0 mt -52.78 -52.8 55.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.61 HD12 ' HA ' ' A' ' 48' ' ' SER . 62.4 mt -46.86 -52.21 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -62.47 -22.96 66.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.912 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.52 ' O ' HG21 ' A' ' 30' ' ' THR . 85.0 mt -83.35 17.22 2.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.931 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 74.99 25.22 1.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.567 HD12 ' HB3' ' A' ' 50' ' ' LEU . 6.9 mt -105.25 29.08 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.135 179.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.56 -25.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.493 ' N ' ' O ' ' A' ' 55' ' ' ILE . 9.2 m-20 -77.68 129.76 75.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -26.24 27.76 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -54.68 -42.13 71.03 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.598 ' OD2' ' CE1' ' A' ' 27' ' ' TYR . 40.2 t0 -81.76 -46.72 13.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.901 ' HA ' HD13 ' A' ' 50' ' ' LEU . 74.5 mtm-85 -53.06 -49.47 66.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.25 -51.93 64.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.2 mtt180 -57.55 -29.45 64.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.847 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.843 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -78.55 -46.98 18.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.24 -57.37 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -51.54 -47.55 63.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -60.79 -54.87 39.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.593 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -56.36 -38.63 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.095 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -59.89 -48.8 80.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.1 t -56.68 -48.13 78.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.845 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.841 HD13 HD11 ' A' ' 39' ' ' LEU . 9.1 mt -59.25 -56.23 24.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.947 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.5 mt -78.62 169.83 17.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.886 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 75.3 m -132.36 46.75 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.04 145.74 19.39 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.437 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -3.18 11.49 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 17.8 m -70.61 107.99 4.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.818 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 64.4 p -109.0 117.07 33.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.525 -179.95 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -74.68 103.02 4.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.5 p -93.66 148.98 21.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.821 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.16 -66.28 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -121.27 139.62 53.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.846 0.355 . . . . 0.0 110.866 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.7 p -157.28 137.68 12.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.903 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.35 -63.84 4.79 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 2.9 ptt-85 -132.54 139.03 47.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.938 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.3 ttt85 -112.1 163.01 14.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.839 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -72.09 168.45 18.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -46.64 151.49 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 1.9 p-80 -127.52 138.5 52.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.873 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.46 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 3.2 tp-100 -96.83 130.88 44.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.927 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.43 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.9 t -94.02 130.68 40.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.117 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.607 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -35.95 -56.5 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' HG3' HG21 ' A' ' 28' ' ' THR . 1.6 mp0 -35.53 -71.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.43 ' H ' HG23 ' A' ' 14' ' ' THR . 41.2 mt-10 -59.27 -41.0 87.85 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.624 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.3 t80 -56.36 -26.27 52.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.915 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.702 HD11 ' CD1' ' A' ' 31' ' ' LEU . 89.6 mt -90.8 -39.47 12.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -51.19 -29.32 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.601 HH11 HG23 ' A' ' 22' ' ' ILE . 4.6 ptm180 -72.99 -38.3 66.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.928 HD12 HD12 ' A' ' 24' ' ' LEU . 6.5 pt -96.28 7.15 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.129 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 57.47 38.76 28.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.928 HD12 HD12 ' A' ' 22' ' ' ILE . 14.2 mt -117.22 19.32 14.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.93 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -60.24 -18.86 51.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.471 ' HG3' ' CD1' ' A' ' 27' ' ' TYR . 17.4 pt-20 -62.66 -8.94 7.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.471 ' CD1' ' HG3' ' A' ' 26' ' ' GLU . 96.1 m-85 -110.02 -9.27 14.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.495 HG21 ' HG3' ' A' ' 16' ' ' GLN . 25.8 m -37.41 -67.47 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.132 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 22.0 p -46.56 -50.25 17.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.604 HG21 ' O ' ' A' ' 53' ' ' LEU . 61.2 m -52.88 -38.11 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.5 mt -75.75 -51.11 13.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 36' ' ' TYR . 60.6 mt -58.0 -60.14 4.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 mp -46.59 -39.34 10.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.469 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -70.19 -28.13 65.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 136.45 -31.58 2.57 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.482 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.474 ' O ' HD23 ' A' ' 32' ' ' LEU . 85.2 m-85 -61.85 97.88 0.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.82 0.343 . . . . 0.0 110.921 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.519 ' C ' HD13 ' A' ' 15' ' ' ILE . 49.6 mt-10 -99.44 -42.03 7.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.406 ' C ' ' CD1' ' A' ' 15' ' ' ILE . 36.5 p -129.49 165.28 21.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.186 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.853 HD11 HD13 ' A' ' 71' ' ' LEU . 8.8 mt -46.67 -44.63 18.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -40.85 -33.92 0.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.6 -32.87 28.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.747 ' O ' HG22 ' A' ' 45' ' ' ILE . 29.8 mt -67.11 -30.0 69.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -58.13 -12.26 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -107.06 -11.59 15.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.853 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.747 HG22 ' O ' ' A' ' 42' ' ' LEU . 4.0 tt -73.46 143.0 14.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -128.1 -179.44 4.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.86 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -55.69 -46.99 77.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.401 ' HA ' HD12 ' A' ' 51' ' ' ILE . 52.6 p -58.46 -55.8 30.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 45.8 m80 -39.97 -57.84 1.54 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.052 HD22 HD13 ' A' ' 64' ' ' LEU . 32.9 mt -48.09 -50.08 29.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 48' ' ' SER . 68.5 mt -51.35 -51.09 25.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -65.61 -21.13 66.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.604 ' O ' HG21 ' A' ' 30' ' ' THR . 94.2 mt -86.03 19.76 2.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 75.0 26.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.483 ' CG2' ' HB2' ' A' ' 60' ' ' ASP . 8.1 mt -111.54 30.06 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.47 -24.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -74.74 129.55 83.28 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.641 0.734 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 -30.48 22.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.335 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -53.13 -49.28 66.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 5.3 m-20 -74.11 -48.58 28.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.885 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.933 ' HA ' HD13 ' A' ' 50' ' ' LEU . 62.5 mtm-85 -47.52 -55.6 8.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.95 -52.41 65.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -55.57 -31.82 62.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.052 HD13 HD22 ' A' ' 50' ' ' LEU . 2.0 tt -76.28 -49.78 16.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 50' ' ' LEU . 4.4 mt -67.36 -65.74 0.65 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 49.2 m -43.66 -40.61 4.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.21 -57.91 8.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -50.6 -53.99 26.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.117 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.7 mm-40 -54.64 -26.75 35.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.2 t -76.98 -19.35 57.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.853 HD13 HD11 ' A' ' 39' ' ' LEU . 5.2 mt -95.52 -47.2 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mp -106.27 163.54 12.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.931 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 58.1 m -63.35 -52.55 61.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 136.27 161.57 9.19 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.484 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 2.12 3.84 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 69.49 39.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 10.8 t -67.34 127.0 31.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.258 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.497 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.0 p -149.73 137.75 20.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.838 0.352 . . . . 0.0 110.84 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -130.13 96.96 4.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.867 -179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.22 81.11 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.443 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -80.75 128.21 33.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.374 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -144.98 119.62 9.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.845 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.7 74.76 0.24 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -139.26 148.7 43.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 10' ' ' GLU . 35.0 ptt-85 -84.21 176.77 8.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.849 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 9' ' ' ARG . 49.3 mt-10 32.01 54.59 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -61.08 157.0 16.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -99.66 143.07 30.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 39' ' ' LEU . 4.6 tp-100 -87.06 132.01 33.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.439 HG23 ' H ' ' A' ' 17' ' ' GLU . 8.8 t -90.83 144.61 25.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.599 HG13 HD11 ' A' ' 42' ' ' LEU . 1.4 mp -50.36 -50.35 21.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.427 ' H ' ' CD ' ' A' ' 16' ' ' GLN . 1.2 mp0 -41.0 -70.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.439 ' H ' HG23 ' A' ' 14' ' ' THR . 43.0 mm-40 -61.49 -38.84 88.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.5 t80 -57.41 -28.56 63.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.889 HD23 HD11 ' A' ' 22' ' ' ILE . 86.5 mt -87.55 -39.82 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -50.92 -37.41 43.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -68.71 -41.33 79.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.955 HD12 HD12 ' A' ' 24' ' ' LEU . 16.4 pt -89.57 4.64 5.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 57.74 44.22 20.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.955 HD12 HD12 ' A' ' 22' ' ' ILE . 26.7 mt -127.69 18.54 6.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.41 ' N ' ' HB3' ' A' ' 19' ' ' LEU . 14.6 pt20 -59.28 -10.91 3.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -69.9 -16.38 63.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.494 ' CE2' HG12 ' A' ' 55' ' ' ILE . 85.2 m-85 -99.6 -4.56 30.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.927 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 31' ' ' LEU . 86.2 m -42.55 -75.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.163 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.427 ' O ' HD13 ' A' ' 33' ' ' LEU . 24.5 p -40.14 -47.79 2.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.432 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 54.0 m -57.02 -38.57 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.58 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -75.7 -49.06 19.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.446 HD23 ' O ' ' A' ' 36' ' ' TYR . 52.0 mt -60.36 -59.9 4.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD13 ' O ' ' A' ' 29' ' ' SER . 6.6 mp -45.96 -40.82 10.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.932 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.432 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.1 m-80 -68.28 -35.77 78.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 146.27 -34.66 1.39 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.446 ' O ' HD23 ' A' ' 32' ' ' LEU . 91.4 m-85 -57.61 106.82 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.832 0.349 . . . . 0.0 110.937 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.514 ' C ' HD13 ' A' ' 15' ' ' ILE . 28.2 mt-10 -105.18 -42.09 5.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 50.4 p -134.23 165.65 24.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.135 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.872 HD11 HD13 ' A' ' 71' ' ' LEU . 7.7 mt -43.92 -44.57 7.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -40.15 -36.87 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.837 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.73 -39.91 35.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.711 HD12 HD23 ' A' ' 39' ' ' LEU . 77.8 mt -60.16 -34.54 73.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' CB ' HD13 ' A' ' 72' ' ' LEU . 7.9 ptmt -51.75 -16.5 0.68 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -102.81 -18.94 14.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.802 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.697 HG22 ' O ' ' A' ' 42' ' ' LEU . 3.7 tt -63.9 141.05 18.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.97 172.33 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -48.53 -43.5 35.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.442 ' HA ' HD12 ' A' ' 51' ' ' ILE . 43.5 p -63.09 -55.59 24.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 51.5 m80 -40.17 -55.51 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.943 HD13 ' HA ' ' A' ' 61' ' ' ARG . 41.2 mt -49.23 -51.11 35.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.442 HD12 ' HA ' ' A' ' 48' ' ' SER . 72.1 mt -48.71 -55.09 3.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.159 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -59.44 -21.26 59.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 95.2 mt -89.15 26.09 1.7 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 67.62 25.05 8.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.852 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.526 HD12 ' HA ' ' A' ' 50' ' ' LEU . 7.0 mt -108.59 27.22 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.142 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.446 ' O ' ' NH1' ' A' ' 61' ' ' ARG . . . -41.46 -23.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 55' ' ' ILE . 14.6 m-20 -74.04 131.98 80.46 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.585 0.707 . . . . 0.0 110.861 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -37.7 8.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -50.11 -41.21 48.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.2 m-20 -80.9 -47.46 13.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.943 ' HA ' HD13 ' A' ' 50' ' ' LEU . 64.1 mtm-85 -52.18 -56.88 11.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.63 -53.94 50.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 mtt180 -56.89 -30.45 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.868 HD13 HD22 ' A' ' 50' ' ' LEU . 2.1 tt -79.18 -38.08 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.556 ' HG ' HD11 ' A' ' 50' ' ' LEU . 6.3 mt -76.1 -64.08 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.938 179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 61.1 m -45.75 -35.71 4.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.47 -58.12 4.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.096 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -55.39 -36.62 66.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.066 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 73' ' ' SER . 3.9 mm-40 -62.7 -46.34 88.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.905 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.1 t -62.11 -45.9 91.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.838 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.872 HD13 HD11 ' A' ' 39' ' ' LEU . 8.6 mt -64.0 -55.35 23.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.929 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.501 HD13 ' CB ' ' A' ' 43' ' ' LYS . 6.6 mt -73.58 -61.01 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 69' ' ' GLU . 1.8 t -79.04 47.41 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -146.64 145.38 14.2 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 162.7 41.07 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.703 2.268 . . . . 0.0 112.33 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.8 m -83.45 112.75 20.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.831 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 6.6 m -105.65 -57.73 2.0 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.5 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.4 t -68.4 -45.34 72.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.849 0.356 . . . . 0.0 110.862 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.1 t -147.84 158.95 44.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.885 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.08 -154.94 2.87 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -161.56 175.35 12.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.847 0.356 . . . . 0.0 110.84 -179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.6 p -77.1 105.38 8.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.846 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.63 162.66 22.38 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.473 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 1.2 tpt180 -171.12 159.1 5.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.82 0.343 . . . . 0.0 110.843 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.32 15.83 27.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.06 158.05 20.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -57.48 -179.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 88.5 m-70 -135.73 152.48 51.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.796 ' HB3' HD22 ' A' ' 39' ' ' LEU . 8.7 tp-100 -111.82 147.32 35.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.741 HG23 ' H ' ' A' ' 17' ' ' GLU . 14.5 t -100.88 148.72 24.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.525 HG13 HD11 ' A' ' 42' ' ' LEU . 1.5 mp -63.72 -38.23 81.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.62 ' NE2' ' H ' ' A' ' 16' ' ' GLN . 1.1 mp0 -53.33 -56.15 18.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.741 ' H ' HG23 ' A' ' 14' ' ' THR . 48.0 mt-10 -73.31 -34.29 65.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.715 ' CD1' HD11 ' A' ' 71' ' ' LEU . 3.0 t80 -63.49 -29.09 70.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.787 HD23 HD11 ' A' ' 22' ' ' ILE . 91.5 mt -86.78 -43.56 12.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -47.91 -36.79 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.432 ' NH1' HD21 ' A' ' 71' ' ' LEU . 9.4 ptp180 -67.82 -43.48 79.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.887 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.787 HD11 HD23 ' A' ' 19' ' ' LEU . 6.5 pt -88.1 2.76 5.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 59.77 42.9 16.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.585 HD11 ' HA ' ' A' ' 60' ' ' ASP . 10.8 mt -125.75 23.09 7.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.946 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' CD ' ' H ' ' A' ' 25' ' ' GLN . 0.0 OUTLIER -61.99 -14.2 32.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.531 ' HG3' ' CD2' ' A' ' 27' ' ' TYR . 9.4 pt-20 -67.42 -10.69 53.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.531 ' CD2' ' HG3' ' A' ' 26' ' ' GLU . 96.4 m-85 -107.5 -1.51 21.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.517 HG22 ' CD1' ' A' ' 32' ' ' LEU . 89.9 m -45.44 -70.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.148 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 p -42.83 -50.59 5.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.479 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 24.6 m -53.42 -32.88 51.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.137 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.523 ' CD1' HD11 ' A' ' 19' ' ' LEU . 9.9 mt -82.41 -49.27 10.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.517 ' CD1' HG22 ' A' ' 28' ' ' THR . 30.2 mt -60.75 -60.6 3.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.6 mp -45.07 -34.64 2.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.479 ' ND2' ' O ' ' A' ' 30' ' ' THR . 3.2 m-80 -74.74 -33.22 62.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 32' ' ' LEU . . . 139.52 -20.61 2.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.508 ' O ' HD23 ' A' ' 32' ' ' LEU . 99.1 m-85 -71.96 95.21 1.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.867 0.365 . . . . 0.0 110.932 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.462 ' C ' HD13 ' A' ' 15' ' ' ILE . 40.6 mt-10 -94.73 -43.95 8.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.413 ' O ' ' C ' ' A' ' 39' ' ' LEU . 73.1 p -134.43 157.06 47.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.114 HD21 HD13 ' A' ' 71' ' ' LEU . 10.8 mp -36.46 -41.82 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 10.1 t70 -38.11 -47.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -74.25 -36.27 63.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.038 ' O ' HG22 ' A' ' 45' ' ' ILE . 28.8 mt -57.9 -29.37 65.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.961 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.446 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 7.8 ptmt -59.41 -11.05 3.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -108.36 -11.46 15.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 1.038 HG22 ' O ' ' A' ' 42' ' ' LEU . 7.7 tt -75.15 148.5 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.165 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -131.43 -177.35 4.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -61.35 -49.39 77.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 85.9 p -55.79 -42.79 76.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.881 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -51.21 -56.21 14.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.977 HD13 ' HA ' ' A' ' 61' ' ' ARG . 29.6 mt -50.35 -48.47 55.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.424 HG12 ' NH1' ' A' ' 61' ' ' ARG . 77.5 mt -53.48 -47.82 58.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.182 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -68.0 -23.32 65.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.403 ' CD2' ' OD1' ' A' ' 34' ' ' ASN . 95.5 mt -83.82 17.6 2.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.918 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.9 t30 74.97 25.01 1.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.54 ' O ' HG22 ' A' ' 55' ' ' ILE . 14.1 mt -105.69 29.23 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.66 -25.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.082 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 55' ' ' ILE . 5.6 m-20 -73.89 127.62 87.97 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -36.41 10.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.683 2.256 . . . . 0.0 112.365 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -47.69 -38.68 15.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.585 ' HA ' HD11 ' A' ' 24' ' ' LEU . 6.5 m-20 -82.72 -47.42 12.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.828 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.977 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.7 mtm-85 -52.75 -55.11 25.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.9 -53.15 61.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.051 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 54.3 mtt-85 -56.56 -28.65 60.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 -179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.817 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.1 tt -80.29 -46.91 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.9 mt -68.29 -64.28 0.89 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 t -45.56 -41.98 10.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.823 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -63.97 -54.21 38.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.78 ' HA ' HD12 ' A' ' 71' ' ' LEU . . . -53.73 -46.98 71.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.055 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.459 ' O ' ' N ' ' A' ' 73' ' ' SER . 79.5 mt-10 -48.35 -52.62 20.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.6 t -55.1 -44.75 75.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.114 HD13 HD21 ' A' ' 39' ' ' LEU . 7.3 mt -64.66 -63.67 1.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.99 -66.49 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.459 ' N ' ' O ' ' A' ' 69' ' ' GLU . 2.6 t -76.95 80.03 3.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.36 85.93 0.2 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 171.93 13.56 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.692 2.261 . . . . 0.0 112.374 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.5 t -118.73 102.65 8.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.866 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -82.17 -49.94 9.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.482 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 t -102.16 122.28 43.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.849 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -157.42 162.56 39.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.874 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.7 -111.31 0.4 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -113.49 -51.08 2.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.825 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -55.04 166.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.34 134.21 26.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.511 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -96.58 44.84 1.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.332 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -111.24 156.25 21.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -118.79 145.93 45.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -69.6 176.31 3.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -124.31 139.95 53.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.821 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.583 ' HG2' HD13 ' A' ' 71' ' ' LEU . 6.3 tp60 -102.46 133.07 48.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 7.0 t -88.59 139.23 30.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.432 ' O ' ' C ' ' A' ' 16' ' ' GLN . 1.5 mp -52.29 -55.28 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 15' ' ' ILE . 23.4 mp0 -35.84 -61.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' CD ' ' N ' ' A' ' 17' ' ' GLU . 0.0 OUTLIER -67.81 -49.68 60.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.902 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.8 ' CD1' HD11 ' A' ' 71' ' ' LEU . 2.4 t80 -47.2 -28.55 1.91 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.792 HD23 HD11 ' A' ' 22' ' ' ILE . 93.8 mt -86.32 -37.87 18.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.407 ' CD ' ' NE2' ' A' ' 25' ' ' GLN . 36.7 mm-40 -54.34 -32.05 55.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 21' ' ' ARG . 0.7 OUTLIER -74.02 -33.43 63.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.792 HD11 HD23 ' A' ' 19' ' ' LEU . 6.9 pt -96.82 7.48 7.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 52.5 39.89 28.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.57 HD12 HD12 ' A' ' 22' ' ' ILE . 21.2 mt -123.07 18.11 10.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' NE2' ' CD ' ' A' ' 20' ' ' GLU . 12.4 pt20 -57.63 -13.13 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -63.68 -11.23 24.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -110.67 -1.87 16.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 87.9 m -45.07 -69.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.124 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 55.8 p -42.98 -50.66 5.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.487 HG21 ' O ' ' A' ' 53' ' ' LEU . 15.4 m -54.58 -31.44 56.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' CD1' HD11 ' A' ' 19' ' ' LEU . 11.5 mt -82.69 -51.24 7.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.964 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 36' ' ' TYR . 49.1 mt -59.22 -58.16 9.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.977 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.1 mp -47.31 -32.62 4.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -77.88 -28.36 49.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 135.64 -26.89 3.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.524 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.543 ' O ' HD23 ' A' ' 32' ' ' LEU . 98.1 m-85 -61.46 89.09 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.843 0.354 . . . . 0.0 110.943 -179.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -91.8 -41.53 10.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.2 p -134.07 161.17 35.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.119 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.749 HD11 HD12 ' A' ' 71' ' ' LEU . 1.6 mm? -46.95 -39.87 13.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.415 ' O ' ' CD ' ' A' ' 43' ' ' LYS . 5.8 m-20 -39.45 -33.55 0.17 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -82.84 -40.05 20.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.641 ' O ' HG22 ' A' ' 45' ' ' ILE . 78.9 mt -57.22 -31.18 65.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' CD ' ' O ' ' A' ' 40' ' ' ASP . 9.6 ptmt -50.23 -18.78 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -116.31 32.4 6.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.85 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.641 HG22 ' O ' ' A' ' 42' ' ' LEU . 5.1 tt -107.47 134.93 47.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.184 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -114.49 157.66 22.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -42.2 -44.91 3.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 94.9 p -56.02 -55.39 33.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -38.36 -52.73 1.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.839 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.991 ' CD2' HD13 ' A' ' 64' ' ' LEU . 42.4 mt -53.41 -50.17 65.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.427 HG12 ' NH1' ' A' ' 61' ' ' ARG . 72.8 mt -50.47 -53.38 12.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 -60.73 -23.57 65.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.873 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.487 ' O ' HG21 ' A' ' 30' ' ' THR . 84.8 mt -83.86 17.9 2.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.925 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.7 t-20 74.73 25.05 1.55 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 55' ' ' ILE . 10.4 mt -107.02 29.45 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.103 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.83 -25.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 55' ' ' ILE . 3.6 m-20 -73.91 129.63 84.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.602 0.715 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -39.45 6.46 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.698 2.265 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -47.49 -38.85 14.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.496 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 8.8 m-20 -82.24 -47.14 12.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.941 ' HA ' HD13 ' A' ' 50' ' ' LEU . 75.2 mtm-85 -51.52 -54.0 31.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.64 -52.0 66.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.3 mtt-85 -57.25 -28.57 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.991 HD13 ' CD2' ' A' ' 50' ' ' LEU . 2.2 tt -80.83 -46.44 15.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.632 ' HG ' HD11 ' A' ' 50' ' ' LEU . 5.6 mt -70.42 -64.77 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.967 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.2 t -45.92 -44.88 15.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -64.2 -54.87 26.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.57 -38.31 66.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -64.32 -39.06 93.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -42.25 99.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.8 HD11 ' CD1' ' A' ' 18' ' ' PHE . 17.5 mt -63.41 -60.05 3.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 73' ' ' SER . 29.4 mt -56.48 -61.61 2.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 72' ' ' LEU . 82.9 p 36.61 47.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -130.44 -95.44 0.72 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.492 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 120.78 7.51 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.643 2.228 . . . . 0.0 112.385 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 9.0 t -101.1 34.8 2.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.3 m -61.35 152.76 28.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.487 -179.988 . . . . . . . . 0 0 . 1 stop_ save_