data_2dmn_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 2dmn _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 ' 14' ' ' LEU . . . . . 0.457 ' CD2' HD23 ' A' ' 49' ' ' LEU . 10.8 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.1 Cg_endo -69.72 130.57 19.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.748 2.299 . . . . 0.0 112.377 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.62 -66.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.8 tp10 -34.9 -43.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 m -75.86 -47.45 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.4 t -48.97 -46.98 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -39.42 -42.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -60.14 -45.12 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.533 HD12 ' CE3' ' A' ' 57' ' ' TRP . 73.2 mt -71.17 -50.71 30.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 24' ' ' ASP . 49.0 mtm180 -54.0 -60.86 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' ARG . 11.6 t70 -36.68 -40.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.744 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 42.1 t90 -79.4 -42.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.8 ttt -58.42 -24.73 60.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -71.6 -64.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -53.13 -35.05 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.744 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 92.3 m-70 -99.66 3.3 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.6 ptt180 -37.06 -33.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 49.7 m-85 -40.36 -48.48 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -116.76 -23.66 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.45 35.3 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CE2' ' NH2' ' A' ' 62' ' ' ARG . 48.6 m-85 -134.99 96.12 14.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 167.54 24.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.325 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' GLU . 23.0 m -106.82 154.11 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' SER . 26.0 mt-10 -35.88 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.1 mp0 -76.6 -50.9 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.7 mm-40 -55.41 -51.19 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 16.2 mttt -56.55 -61.2 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.49 ' OE1' ' CD1' ' A' ' 51' ' ' LEU . 10.3 tp60 -48.98 -33.31 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ttp -68.93 -51.28 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 22' ' ' LEU . 5.2 mt -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -50.77 -24.83 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -74.77 -34.49 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -84.77 -40.16 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -83.65 -26.54 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.0 t30 73.13 37.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 HD23 ' CD2' ' A' ' 14' ' ' LEU . 11.6 mt -109.76 -174.9 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' GLN . 21.4 m -109.57 133.94 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 48.3 mt -34.25 -42.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 23.4 tp -59.49 -47.78 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' SER . 28.7 mt-30 -65.55 -41.07 93.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.3 mm -50.42 -68.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -54.44 -44.85 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 46.2 m-20 -51.52 -47.47 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.533 ' CE3' HD12 ' A' ' 22' ' ' LEU . 48.4 t90 -61.07 -41.47 96.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -57.75 -40.39 79.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.2 mt -49.1 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -64.16 -34.38 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -60.57 -34.35 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' CE2' ' A' ' 34' ' ' TYR . 12.1 mtp-105 -74.74 -0.5 18.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.5 -18.59 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -125.35 -43.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.443 ' CD1' ' CZ2' ' A' ' 57' ' ' TRP . 60.3 mt -76.35 -65.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.625 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.4 tp -40.37 -52.23 5.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.72 -21.49 33.62 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.352 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ILE . 1.2 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 57' ' ' TRP . 8.7 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 121.583 0.706 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.79 133.79 26.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.82 -65.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' ALA . 20.8 tt0 -35.95 -46.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.3 m -73.58 -42.24 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' LEU . 84.1 t -53.58 -53.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -39.1 -38.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -64.76 -44.22 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.187 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' VAL . 75.6 mt -73.58 -52.82 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -49.88 -57.28 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -39.42 -49.76 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.733 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 31.0 t90 -71.32 -41.22 70.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.9 ttt -60.62 -24.18 65.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -72.47 -51.83 18.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -63.37 -41.67 98.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.733 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 77.2 m-70 -96.29 3.68 52.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' CA ' ' O ' ' A' ' 26' ' ' MET . 33.7 ptt-85 -36.73 -38.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 25.0 m-85 -35.21 -44.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -118.04 -23.05 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.23 31.68 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -134.99 93.98 16.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.549 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.6 Cg_endo -69.81 172.09 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' GLU . 83.5 p -107.97 154.01 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.0 tt0 -36.3 -31.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.7 mp0 -74.54 -51.73 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' SER . 71.2 mm-40 -54.47 -53.87 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.55 -64.14 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.466 ' CA ' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.88 -41.13 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.0 ttp -63.46 -51.46 65.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.96 -46.56 90.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.5 p -46.73 -31.09 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.2 -38.44 81.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -82.05 -35.64 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.8 p -88.19 -15.15 36.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' SER . 90.1 m-20 62.43 36.82 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.5 mt -111.38 -179.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.7 m -103.82 135.5 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 HD21 ' CA ' ' A' ' 41' ' ' GLN . 97.2 mt -38.48 -34.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 tp -65.33 -47.09 77.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.6 mt-30 -67.41 -40.95 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -49.38 -69.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 t -51.28 -49.78 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -44.44 -41.94 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CG ' HD12 ' A' ' 14' ' ' LEU . 75.4 t90 -68.68 -39.28 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 12.9 m-85 -64.03 -30.61 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.27 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -29.62 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -66.92 -50.63 61.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -65.98 -1.72 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -103.87 -27.74 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.07 -43.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 61' ' ' ALA . 21.6 mt -69.11 -50.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.596 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.1 tp -49.32 -54.21 32.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.72 -5.0 15.13 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.552 HD12 ' CD1' ' A' ' 57' ' ' TRP . 2.0 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 134.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.64 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' ALA . 8.3 tt0 -35.72 -53.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 p -66.28 -39.08 89.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 97.4 t -56.94 -52.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -39.58 -41.57 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mp -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.562 HD11 ' CE3' ' A' ' 57' ' ' TRP . 75.3 mt -70.84 -54.95 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 9.4 mtp-105 -48.75 -60.87 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 3.7 t70 -37.32 -46.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.752 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 32.5 t90 -72.91 -41.6 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.1 ttm -60.57 -25.67 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -68.62 -51.64 40.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -61.78 -46.08 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.752 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 66.9 m-70 -92.02 3.4 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.3 ptt-85 -36.82 -41.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 3.1 m-85 -37.78 -46.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -104.51 -32.97 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 57.96 49.76 11.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 47.5 m-85 -160.58 104.95 1.32 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.967 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.551 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.9 Cg_endo -69.69 173.66 10.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.732 2.288 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 38' ' ' GLU . 1.5 t -112.67 151.59 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 29.7 tt0 -34.34 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -76.41 -49.95 15.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.0 mm-40 -54.09 -53.25 55.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -54.81 -58.69 6.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.25 -32.16 15.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ttp -75.11 -52.66 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.92 -44.04 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -47.54 -24.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.15 -39.16 55.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -79.84 -39.61 30.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -87.91 -16.35 34.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.2 t30 64.87 29.35 12.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.435 HD22 ' CD2' ' A' ' 14' ' ' LEU . 10.5 mt -103.14 -175.81 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLN . 54.6 m -115.82 136.89 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 50' ' ' SER . 7.7 mp -33.71 -40.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.425 HD11 ' ND2' ' A' ' 56' ' ' ASN . 28.7 tp -56.81 -49.94 73.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.4 mt-30 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.9 mm -63.59 -68.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 -50.04 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.425 ' ND2' HD11 ' A' ' 52' ' ' LEU . 32.6 m-20 -48.97 -47.49 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.562 ' CE3' HD11 ' A' ' 22' ' ' LEU . 57.7 t90 -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.0 m-85 -52.95 -31.38 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.82 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -66.39 -23.57 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.09 -27.49 39.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 39.1 ttt-85 -79.24 -11.85 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -104.95 -6.77 19.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 29.1 ttp180 -125.45 -43.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.0 mt -79.52 -62.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.621 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 17.0 tp -42.38 -52.4 10.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.3 Cg_endo -69.7 -17.63 37.74 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 4.2 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD2' HD23 ' A' ' 49' ' ' LEU . 3.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.3 Cg_endo -69.71 133.77 26.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.0 -65.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.1 tm-20 -35.71 -57.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.0 m -59.46 -45.88 90.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' LEU . 60.2 t -53.58 -51.25 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' VAL . 1.5 tmtp? -37.04 -35.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.72 -43.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' VAL . 78.1 mt -74.85 -45.76 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 17.1 mtm105 -57.13 -56.37 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.73 -38.88 4.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.597 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 39.3 t90 -76.37 -44.09 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.493 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.1 ttm -52.51 -30.39 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 3.0 t80 -68.32 -57.83 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -54.65 -48.88 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.597 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 9.0 m-70 -89.77 3.5 52.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' CA ' ' O ' ' A' ' 26' ' ' MET . 25.6 ptt180 -40.81 -33.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -38.47 -48.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -111.92 -17.65 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 50.63 51.15 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 50.0 m-85 -162.21 105.02 1.11 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 54.4 Cg_endo -69.72 171.67 14.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.396 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 53.2 m -109.1 151.58 26.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' SER . 3.5 mp0 -36.31 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 8.0 mm-40 -75.67 -48.42 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.4 mm-40 -57.45 -60.96 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -43.87 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 41' ' ' GLN . 2.3 tp60 -53.7 -37.88 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 39' ' ' GLU . 9.5 tmm? -67.16 -52.81 36.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.71 -42.84 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.73 -27.25 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -71.99 -36.03 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -35.88 24.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 p -92.74 -15.88 26.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.9 m120 60.31 32.49 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 14' ' ' LEU . 14.8 mt -99.54 -175.59 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.9 m -107.61 136.24 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -38.17 -35.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -66.46 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.2 mt-30 -64.72 -36.8 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.9 mm -55.56 -67.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 t -55.03 -44.43 74.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -53.09 -51.33 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -55.33 -36.55 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.494 ' O ' ' NE ' ' A' ' 62' ' ' ARG . 12.2 m-85 -63.6 -19.97 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -71.4 -63.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -71.08 -28.47 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -70.57 -44.75 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 58' ' ' PHE . 13.2 mtm105 -68.24 -1.15 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -99.63 -28.38 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.45 -42.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 61' ' ' ALA . 50.1 mt -69.45 -56.83 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.608 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 6.0 tp -46.51 -53.18 25.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.699 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.1 Cg_endo -69.82 -7.93 22.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 57' ' ' TRP . 5.5 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.8 139.96 41.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.93 -64.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 11.1 pt-20 -35.09 -51.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -69.49 -41.46 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ALA . 85.2 t -54.72 -52.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -39.89 -42.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -62.21 -46.46 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 HD13 ' CE3' ' A' ' 57' ' ' TRP . 70.6 mt -70.84 -57.23 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -46.24 -52.39 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -44.15 -43.36 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.746 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 68.9 t90 -77.92 -49.51 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 2.8 ttt -54.33 -23.09 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -72.49 -62.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.746 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 86.9 m-70 -101.71 3.4 39.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' CA ' ' O ' ' A' ' 26' ' ' MET . 14.1 ptt85 -38.02 -35.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -41.35 -44.88 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -114.87 -32.61 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.03 25.14 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 56.6 m-85 -129.03 88.66 50.91 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.11 19.7 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 4.3 t -104.93 149.59 25.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.3 mt-10 -34.51 -32.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.8 mp0 -73.51 -51.74 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' SER . 17.0 mt-10 -58.3 -51.62 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.31 -54.13 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -48.94 -39.94 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.14 -36.27 72.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -53.8 -24.32 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.43 -43.46 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -30.64 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 p -97.77 -17.45 19.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.5 t-20 63.38 31.62 15.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -104.35 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLN . 20.1 m -115.38 135.61 53.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 50' ' ' SER . 7.7 mp -33.61 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -56.92 -47.69 80.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 23.2 mt-30 -72.38 -34.4 67.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.9 mm -56.39 -69.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.7 t -56.32 -45.9 80.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -48.71 -44.75 38.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.513 ' CG ' HD11 ' A' ' 14' ' ' LEU . 57.5 t90 -63.24 -41.62 99.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 26' ' ' MET . 12.6 m-85 -58.53 -42.51 87.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.2 mt -50.85 -67.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -54.17 -34.09 59.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.475 ' HG3' ' CE ' ' A' ' 26' ' ' MET . 9.8 mtp-105 -69.48 -0.61 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -103.5 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -126.29 -43.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 61' ' ' ALA . 12.4 mt -70.69 -61.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.591 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 7.3 tp -44.63 -54.04 13.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.2 Cg_endo -69.81 -11.21 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.228 . . . . 0.0 112.316 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.439 ' CD2' HD23 ' A' ' 49' ' ' LEU . 6.0 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.78 138.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -33.01 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 3.2 tp10 -34.14 -47.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.4 m -74.88 -39.2 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 16' ' ' ALA . 20.7 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -38.11 -40.7 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 3.9 mp -60.7 -42.3 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.483 HD12 ' CE3' ' A' ' 57' ' ' TRP . 85.2 mt -77.79 -46.68 20.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -55.18 -55.11 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -47.83 -39.67 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.746 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 41.6 t90 -76.57 -39.38 52.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -59.97 -25.98 65.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -69.98 -56.85 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -58.31 -38.7 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.746 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 85.6 m-70 -98.44 3.77 48.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 ptt180 -36.6 -41.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -39.08 -65.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -84.55 -41.35 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 65.58 48.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -159.22 105.0 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.934 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' GLU . 17.1 t -109.46 154.06 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -38.61 -26.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mm-40 -83.56 -44.09 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.7 mm-40 -60.92 -55.24 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -49.81 -60.14 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.495 ' OE1' ' CD1' ' A' ' 51' ' ' LEU . 4.2 tp60 -50.14 -37.59 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.7 ttp -66.2 -53.23 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.79 -38.31 84.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.7 t -54.28 -26.69 30.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -75.24 -39.8 59.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.44 -27.24 46.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 81.3 p -100.79 -20.35 15.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' SER . 18.7 t30 66.98 36.03 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.439 HD23 ' CD2' ' A' ' 14' ' ' LEU . 12.7 mt -104.29 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 22.7 m -109.04 134.47 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.495 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 40.5 mt -35.15 -41.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.24 -45.87 91.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 36.3 mt-30 -66.92 -37.96 85.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -55.25 -67.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -55.75 -50.95 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -46.94 -44.87 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 61.5 t90 -62.94 -57.79 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.0 m-85 -43.1 -37.88 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -53.5 -72.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -43.96 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 65' ' ' ILE . . . -60.79 -24.26 65.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 59.8 ttt-85 -79.2 -7.77 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -103.96 -11.76 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 11.5 mtp-105 -124.91 -42.77 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.489 HD12 ' CZ2' ' A' ' 57' ' ' TRP . 2.7 mt -77.71 -63.66 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.609 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.4 tp -39.84 -52.92 4.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 2.2 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' CG ' ' A' ' 57' ' ' TRP . 17.6 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.651 0.739 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 145.59 57.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.7 -61.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 14.3 pt-20 -36.21 -51.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -68.17 -49.27 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.424 ' CG1' ' HG3' ' A' ' 23' ' ' ARG . 82.5 t -46.73 -46.82 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -40.26 -43.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.441 ' HB ' ' CG2' ' A' ' 47' ' ' THR . 4.2 mp -61.97 -44.24 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.531 HD11 ' CE3' ' A' ' 57' ' ' TRP . 96.8 mt -71.82 -58.05 3.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 26.5 mtp180 -46.52 -55.19 7.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -40.4 -42.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.587 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 33.5 t90 -78.5 -42.38 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.44 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.4 ttt -57.22 -20.22 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -77.33 -52.06 9.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -62.24 -46.39 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 18.0 m-70 -92.12 3.64 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CA ' ' O ' ' A' ' 26' ' ' MET . 17.6 ptt85 -36.77 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' HIS . 20.6 m-85 -43.49 -45.63 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -112.65 -27.16 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.15 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 47.0 m-85 -131.03 91.44 36.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.675 0.75 . . . . 0.0 110.969 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.66 33.74 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' GLU . 40.8 t -102.83 150.46 23.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 20.4 mt-10 -35.66 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mt-10 -76.02 -49.18 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.9 mt-10 -56.96 -54.94 40.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HB3' ' CG2' ' A' ' 54' ' ' ILE . 17.0 mttt -50.56 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.474 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.87 -47.05 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 ttp -55.16 -41.72 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mt -75.04 -38.12 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -50.95 -28.9 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -74.12 -35.14 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -32.57 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 80.4 p -93.21 -12.27 30.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 62.03 30.46 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 14' ' ' LEU . 19.5 mt -103.2 -176.19 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' LEU . 19.4 m -105.39 133.95 49.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 41' ' ' GLN . 12.2 mt -35.43 -38.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.58 -54.93 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -57.48 -31.77 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.443 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 21.3 mm -65.16 -62.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -52.24 -54.19 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.437 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 13.5 m-80 -49.88 -57.5 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.531 ' CE3' HD11 ' A' ' 22' ' ' LEU . 56.9 t90 -43.49 -52.34 6.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 62' ' ' ARG . 9.9 m-85 -50.63 -40.59 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 56' ' ' ASN . 66.3 mt -48.33 -72.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 m120 -63.42 -40.06 96.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.471 ' HB3' ' CD1' ' A' ' 65' ' ' ILE . . . -63.73 -23.82 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.601 ' NE ' ' CE2' ' A' ' 34' ' ' TYR . 52.1 ttt-85 -79.48 -14.76 58.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ptp180 -106.27 -3.61 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -126.35 -43.14 1.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 7.7 mt -82.41 -61.74 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.645 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.5 tp -42.52 -50.43 12.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.76 -19.57 35.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 25.6 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 57' ' ' TRP . 3.8 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 138.96 39.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.49 -63.24 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 27.8 tt0 -36.13 -55.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -66.39 -39.78 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.16 -53.7 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -39.61 -40.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.6 mp -64.18 -44.35 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.486 HD11 ' CE3' ' A' ' 57' ' ' TRP . 78.4 mt -74.53 -56.66 4.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -44.94 -57.17 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -41.47 -48.89 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.742 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 19.5 t90 -71.81 -36.94 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -63.87 -26.01 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -73.12 -53.26 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -63.78 -35.21 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.742 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 92.0 m-70 -101.93 3.64 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.6 ptt-85 -40.59 -28.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.0 m-30 -42.03 -53.78 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -102.8 -30.09 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.468 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 61.16 47.13 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 56.5 m-85 -160.71 104.97 1.3 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.674 0.75 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.76 166.29 28.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 43.8 t -99.98 151.75 20.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -37.1 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -83.31 -46.35 12.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.2 mm-40 -55.44 -51.0 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -54.37 -65.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -42.1 -38.22 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 ttp -64.59 -50.51 66.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.16 -44.55 91.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 t -46.66 -21.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.5 -41.24 40.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -78.92 -29.65 44.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.1 p -95.18 -29.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 73.38 35.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 mt -106.13 -174.88 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 5.0 m -107.65 134.89 49.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' SER . 91.5 mt -36.68 -37.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.6 tp -65.14 -45.66 84.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.7 mt-30 -68.27 -33.77 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.41 -68.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 t -56.26 -43.48 78.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -55.1 -41.9 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.486 ' CE3' HD11 ' A' ' 22' ' ' LEU . 16.1 t90 -66.47 -43.06 86.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.515 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.1 m-85 -53.52 -36.79 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.39 -63.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -66.15 -29.52 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -79.13 -24.2 43.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' PHE . 61.4 ttt-85 -77.58 -12.81 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -106.35 -4.71 19.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -125.96 -44.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' ASP . 25.4 mt -84.02 -66.07 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.578 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 8.7 tp -33.53 -54.51 0.73 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -30.43 22.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ILE . 15.4 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.54 HD13 ' CD1' ' A' ' 57' ' ' TRP . 7.5 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.77 134.53 28.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -37.23 -61.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' SER . 10.3 pt-20 -38.95 -41.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 54.4 p -80.26 -44.96 18.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.5 t -52.56 -50.06 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -39.66 -43.08 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -59.48 -46.32 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.563 HD11 ' CE3' ' A' ' 57' ' ' TRP . 84.3 mt -71.02 -52.05 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' ASP . 51.1 mtm180 -51.87 -62.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 6.9 t70 -37.74 -38.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.755 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 52.4 t90 -79.16 -47.84 15.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.4 ttm -56.2 -23.39 35.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -70.74 -50.94 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.28 -35.22 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.755 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 80.2 m-70 -99.7 3.87 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' MET . 28.6 ptt180 -36.47 -40.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -39.62 -53.13 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -98.55 -36.79 9.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.46 49.07 5.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.409 ' OH ' ' NE ' ' A' ' 62' ' ' ARG . 43.7 m-85 -158.79 104.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 54.2 Cg_endo -69.75 166.01 29.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' GLU . 71.0 m -103.12 151.59 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' SER . 5.9 tt0 -35.41 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' SER . 21.0 mt-10 -79.29 -48.47 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.6 mm-40 -52.31 -54.41 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -53.91 -60.17 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -52.44 -26.6 13.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.6 ttp -77.25 -51.07 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 22' ' ' LEU . 4.9 mt -63.65 -45.14 91.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 p -47.11 -26.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -76.94 -41.35 43.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -82.72 -17.92 42.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.59 38.55 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 mt -111.58 -176.27 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 p -108.4 143.02 37.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.4 mt -41.21 -38.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.78 -51.03 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.52 -38.03 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.8 mm -53.36 -68.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.71 -40.66 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -53.36 -37.67 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.563 ' CE3' HD11 ' A' ' 22' ' ' LEU . 28.7 t90 -72.08 -33.74 68.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 14.9 m-85 -63.56 -27.28 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.52 -64.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -32.91 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.562 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -67.55 -57.27 6.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 59.4 ttp85 -57.78 -9.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -86.3 -34.73 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 -44.4 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 61' ' ' ALA . 43.8 mt -58.96 -58.17 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.551 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 9.9 tp -48.34 -56.07 15.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.74 -1.83 9.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 HD11 ' CG ' ' A' ' 57' ' ' TRP . 11.6 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.625 0.726 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 137.17 34.85 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.2 -63.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' ALA . 16.8 tt0 -35.11 -54.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -69.64 -49.53 52.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG1' ' HG3' ' A' ' 23' ' ' ARG . 69.4 t -45.64 -50.9 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -39.84 -41.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 mp -62.76 -48.1 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.406 HD12 ' CE3' ' A' ' 57' ' ' TRP . 67.7 mt -70.04 -56.0 8.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 21.9 mtp180 -46.39 -57.07 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -39.98 -46.79 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 33.6 t90 -74.74 -42.25 58.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.492 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -60.24 -23.17 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -71.16 -51.83 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.47 -44.6 90.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 72.2 m-70 -92.2 3.47 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.492 ' CA ' ' O ' ' A' ' 26' ' ' MET . 37.2 ptt180 -37.29 -39.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.5 t80 -38.07 -48.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -107.03 -16.03 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.47 ' CB ' HD21 ' A' ' 66' ' ' LEU . . . 38.3 28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 44.1 m-85 -134.68 92.0 20.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.77 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 29.0 t -103.97 151.35 23.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' SER . 9.1 tt0 -34.3 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 49.1 mt-10 -69.27 -54.05 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mm-40 -55.27 -60.5 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HB3' ' CG2' ' A' ' 54' ' ' ILE . 15.0 mttt -45.36 -58.11 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -48.37 -49.96 32.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 43' ' ' LEU . 7.4 tmm? -54.67 -52.46 62.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.414 ' N ' ' SD ' ' A' ' 42' ' ' MET . 5.0 mt -61.06 -38.32 85.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -52.34 -21.71 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.57 -39.51 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -79.54 -39.77 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -84.69 -11.58 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.38 31.0 17.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.7 mt -100.33 -177.19 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' GLN . 85.6 p -104.57 133.92 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 ' N ' ' A' ' 41' ' ' GLN . 12.2 mt -38.53 -31.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.0 tp -68.82 -45.45 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.5 mt-30 -68.84 -33.16 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.415 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 33.3 mm -57.42 -67.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -52.4 -46.0 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -50.55 -51.45 47.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CG ' HD11 ' A' ' 14' ' ' LEU . 54.3 t90 -60.36 -44.32 95.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 11.1 m-85 -58.29 -42.41 86.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -51.85 -70.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -62.22 -46.86 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -59.94 -21.02 60.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -79.62 -17.5 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.43 ' HA ' ' NH2' ' A' ' 62' ' ' ARG . 2.6 ptm180 -104.56 -2.64 24.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -126.0 -42.67 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' ASP . 2.0 mt -83.23 -67.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 11.5 tp -34.19 -54.68 0.86 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.8 -28.48 24.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.9 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.506 HD11 ' CD1' ' A' ' 57' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.599 0.714 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 143.45 50.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -45.76 -60.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 18' ' ' SER . 11.2 pt-20 -36.28 -42.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 10.5 p -78.91 -39.44 34.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' LEU . 59.4 t -55.61 -52.38 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' VAL . 19.4 tttp -35.69 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -66.91 -45.53 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 19' ' ' VAL . 98.3 mt -72.4 -48.12 43.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' MET . 12.9 mtm105 -54.91 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' ARG . 9.7 t0 -37.11 -44.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.748 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 18.4 t90 -75.15 -38.39 60.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -60.12 -28.83 68.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.3 -53.8 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.94 -40.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.748 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 84.5 m-70 -97.89 3.56 49.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' MET . 15.9 ptt180 -38.47 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' HIS . 15.9 m-85 -40.07 -46.2 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -24.41 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 55.0 51.36 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -160.45 104.99 1.34 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.664 0.745 . . . . 0.0 110.926 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.78 157.3 60.8 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 28.7 t -95.66 153.14 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' SER . 30.0 mt-10 -35.75 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 34.2 mm-40 -78.96 -48.4 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 70.2 mm-40 -52.71 -53.08 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 42' ' ' MET . 17.4 mttt -55.04 -63.31 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.409 ' CD ' HD13 ' A' ' 51' ' ' LEU . 10.7 tp60 -44.15 -22.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' LYS . 12.8 ttp -88.15 -49.01 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.49 -38.67 90.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 p -55.99 -24.24 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.87 -40.29 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -77.42 -40.72 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.6 p -82.25 -19.86 38.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 70.82 28.27 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.67 -174.18 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.1 m -114.88 137.66 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' SER . 7.1 mp -34.73 -43.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.92 -45.6 78.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' SER . 33.8 mt-30 -73.82 -31.97 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -57.97 -69.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m -51.99 -51.25 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -43.47 -38.76 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.506 ' CD1' HD11 ' A' ' 14' ' ' LEU . 68.0 t90 -68.96 -50.42 49.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 31.3 m-85 -52.5 -31.59 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.2 mt -53.63 -72.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -68.88 -39.72 79.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -54.0 -48.7 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.431 ' CG ' HD22 ' A' ' 66' ' ' LEU . 40.3 ttt-85 -59.66 -9.28 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -103.76 -20.79 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -125.48 12.51 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 61' ' ' ALA . 5.6 mt -132.91 -61.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.2 tp -46.52 -52.76 28.28 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -8.99 25.0 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.398 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 49' ' ' LEU . 17.0 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.79 133.46 25.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.05 -63.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.6 tt0 -36.26 -53.91 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -68.02 -48.1 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . 53.2 t -47.34 -53.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' VAL . 47.0 tttm -36.69 -41.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -63.9 -47.55 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' VAL . 83.5 mt -69.95 -54.39 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 9.7 mtp-105 -49.15 -61.57 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -39.26 -42.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 20.6 t90 -76.65 -38.67 54.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.6 ttt -59.42 -23.85 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -71.64 -62.37 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -53.64 -35.68 61.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 86.6 m-70 -101.63 3.41 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' MET . 16.1 ptt180 -41.58 -30.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.86 -44.21 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -114.26 -26.63 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 57.01 48.35 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -159.85 105.03 1.43 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.727 0.775 . . . . 0.0 110.946 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.78 172.64 12.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' GLU . 9.2 t -106.32 150.73 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -37.64 -27.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.9 mt-10 -80.59 -49.34 11.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' SER . 48.9 mt-10 -57.55 -53.1 61.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -49.7 -56.29 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -53.35 -34.5 57.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.2 ttp -69.51 -53.37 19.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.61 -46.13 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.18 -26.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -72.52 -40.78 66.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -38.29 32.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.2 p -87.8 -19.72 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 86.3 m-20 63.37 38.54 10.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 14' ' ' LEU . 15.3 mt -109.09 -175.95 2.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.0 m -107.38 134.17 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 97.9 mt -34.84 -41.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.76 -47.2 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.2 mt-30 -65.13 -38.56 91.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.7 mm -54.18 -68.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 t -54.12 -46.73 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.47 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 74.2 m-20 -51.21 -53.08 38.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.515 ' CZ2' HD13 ' A' ' 65' ' ' ILE . 62.5 t90 -54.0 -44.41 70.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -56.58 -33.12 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 56' ' ' ASN . 69.2 mt -54.56 -72.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -61.32 -44.4 97.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -52.98 -43.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 50.2 ttp85 -65.44 -2.25 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' ALA . 75.8 mtt-85 -103.6 -27.8 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -125.46 -43.63 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.54 ' N ' ' O ' ' A' ' 61' ' ' ALA . 5.8 mt -68.27 -57.75 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.59 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 12.1 tp -46.02 -54.02 18.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.79 -8.49 23.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.352 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 HD13 ' CG ' ' A' ' 57' ' ' TRP . 2.6 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.593 0.711 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 141.5 45.15 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -41.52 -61.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 9.9 pt-20 -36.47 -45.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 4.1 t -76.09 -38.86 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG11 ' NE ' ' A' ' 23' ' ' ARG . 58.6 t -54.86 -53.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -39.51 -43.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.6 mp -60.63 -49.68 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.05 -56.41 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' NE ' HG11 ' A' ' 19' ' ' VAL . 53.5 mtm180 -46.12 -59.66 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -37.07 -42.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.531 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 72.7 t90 -75.54 -54.97 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.501 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -48.54 -19.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -75.11 -49.58 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -66.73 -36.57 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.531 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.4 m-70 -101.67 4.03 40.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' CA ' ' O ' ' A' ' 26' ' ' MET . 34.5 ptt180 -36.48 -29.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.5 t80 -54.7 -48.8 72.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -38.32 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' HB2' ' CD ' ' A' ' 62' ' ' ARG . . . 57.43 37.39 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -134.99 89.74 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.88 58.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 37.3 t -86.15 153.92 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' SER . 6.6 mm-40 -33.1 -42.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.31 -50.94 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.1 mm-40 -53.73 -54.05 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -56.01 -60.56 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -51.73 -34.61 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.3 ttp -68.37 -52.82 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -48.1 -23.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.06 -36.31 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -32.85 18.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.8 p -89.19 -24.06 22.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 7.0 t-20 67.38 30.45 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 mt -101.22 -177.25 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLN . 58.1 m -106.34 137.45 44.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.1 mt -38.31 -38.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 tp -64.39 -48.45 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' SER . 30.5 mt-30 -65.0 -41.24 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -49.27 -68.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -56.37 -45.96 80.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -49.01 -38.62 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.401 ' CG ' HD13 ' A' ' 14' ' ' LEU . 23.1 t90 -74.65 -41.63 59.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -57.42 -31.98 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.39 -69.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -55.92 -28.36 56.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -75.76 -42.29 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.469 ' CD ' ' HB2' ' A' ' 33' ' ' ALA . 57.5 ttt-85 -66.96 -0.9 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -103.35 -25.7 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -125.67 -43.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 61' ' ' ALA . 8.4 mt -67.03 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.594 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 12.3 tp -45.71 -54.01 17.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.79 -9.02 25.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 14.8 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD22 ' CD1' ' A' ' 49' ' ' LEU . 5.1 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.624 0.726 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.79 142.82 48.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.387 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.19 -67.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 16' ' ' ALA . 22.6 tt0 -35.13 -57.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -59.63 -47.18 86.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.4 t -52.33 -53.67 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -39.25 -40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -62.7 -50.35 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.473 HD11 ' CE3' ' A' ' 57' ' ' TRP . 91.9 mt -68.74 -54.83 13.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -46.76 -61.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -39.13 -43.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 34.6 t90 -74.48 -40.85 61.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -55.99 -29.32 60.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.71 -51.89 55.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -57.06 -49.33 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 8.3 m-70 -90.74 4.01 52.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 27.6 ptt-85 -36.33 -41.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.437 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 37.7 m-85 -43.88 -49.95 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -98.2 -45.34 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 72.43 50.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.455 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 43.8 m-85 -161.15 104.96 1.24 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.636 0.731 . . . . 0.0 110.977 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.489 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.74 166.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.6 m -98.77 153.45 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -40.11 -25.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mp0 -86.22 -47.83 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -50.73 -50.42 55.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -56.78 -66.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -43.28 -28.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.3 ttp -77.11 -48.99 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 22' ' ' LEU . 5.7 mt -65.38 -44.22 88.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -49.54 -23.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.96 -43.69 52.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -75.86 -41.02 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -81.71 -22.6 37.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 71.2 29.3 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD1' HD22 ' A' ' 14' ' ' LEU . 9.8 mt -103.85 -174.61 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 6.0 m -114.41 134.84 54.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' SER . 7.9 mp -33.34 -40.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.401 ' CD1' HD22 ' A' ' 56' ' ' ASN . 28.5 tp -57.73 -48.46 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.1 mt-30 -72.54 -31.16 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.37 -68.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 t -57.07 -48.76 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 59.5 m-20 -49.08 -40.93 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.473 ' CE3' HD11 ' A' ' 22' ' ' LEU . 34.6 t90 -65.03 -45.67 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -54.5 -37.62 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 56' ' ' ASN . 55.1 mt -51.08 -64.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.94 -30.16 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -63.9 -38.92 92.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.467 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 15.6 mtp-105 -69.87 -0.16 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -103.36 -23.91 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -125.38 -43.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' ALA . 25.9 mt -72.91 -62.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.636 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 2.6 tp -41.09 -51.7 7.49 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 -21.12 33.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' ILE . 2.4 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 57' ' ' TRP . 10.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.657 0.741 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 134.33 27.74 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.02 -59.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 23.8 tt0 -41.05 -52.26 3.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.3 m -70.49 -32.73 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG11 ' NE ' ' A' ' 23' ' ' ARG . 98.0 t -61.49 -52.31 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -39.27 -43.77 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 5.0 mp -58.39 -47.05 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.54 -53.88 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.467 ' NE ' HG11 ' A' ' 19' ' ' VAL . 37.4 mtm180 -48.28 -60.56 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -39.15 -41.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.657 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 67.5 t90 -74.54 -51.9 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.3 ttt -48.07 -22.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 20.1 t80 -70.46 -49.56 47.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.7 -36.86 82.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.657 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.1 m-70 -100.47 4.21 43.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 27' ' ' TYR . 5.4 ptm180 -36.19 -34.07 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.2 m-30 -55.45 -49.45 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -95.85 -47.1 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 71.27 51.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.529 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 91.7 m-85 -163.03 105.01 1.01 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.729 0.776 . . . . 0.0 110.931 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.473 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.76 166.52 27.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 38' ' ' GLU . 75.4 m -102.58 153.42 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -37.11 -29.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' SER . 25.5 mt-10 -80.62 -47.31 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -54.29 -54.05 45.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -52.15 -61.07 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -52.35 -31.44 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.9 ttp -70.42 -51.88 26.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.99 -41.24 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -48.92 -22.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -76.72 -41.73 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.84 -33.57 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -92.53 -21.29 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.97 38.13 8.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 14' ' ' LEU . 13.4 mt -107.92 -178.24 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.3 m -105.75 134.4 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' SER . 73.3 mt -34.91 -39.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.9 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' SER . 27.4 mt-30 -64.53 -40.9 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.7 mm -49.96 -67.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -55.51 -43.71 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 41.6 m-20 -54.23 -39.4 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.565 ' CD1' HD13 ' A' ' 14' ' ' LEU . 6.6 t90 -72.04 -31.11 65.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.402 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 10.7 m-85 -69.22 -31.32 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.6 -70.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -55.81 -42.9 76.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -58.71 -41.43 86.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.471 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 62.6 ttp85 -63.65 -4.35 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -90.62 -31.85 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.34 -43.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 61' ' ' ALA . 3.3 mt -60.27 -62.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.564 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 7.0 tp -44.86 -55.71 10.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.73 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.8 Cg_endo -69.74 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 HD13 ' CG ' ' A' ' 57' ' ' TRP . 5.7 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.0 Cg_endo -69.75 133.85 26.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.388 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -35.12 -64.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 12.6 tt0 -37.02 -53.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.7 m -68.13 -35.06 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' ALA . 87.9 t -59.21 -50.99 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -41.29 -44.5 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 5.0 mp -58.98 -44.72 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.491 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 73.7 mt -71.5 -55.83 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' ASP . 39.2 mtp180 -48.8 -59.27 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 8.8 t0 -37.65 -46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.736 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 24.6 t90 -73.9 -39.59 63.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.483 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 4.2 ttm -60.83 -26.31 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -71.16 -53.73 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -60.92 -40.99 95.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.736 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 83.1 m-70 -96.51 3.26 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' CA ' ' O ' ' A' ' 26' ' ' MET . 24.3 ptt180 -39.68 -37.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' ARG . 23.3 m-85 -34.82 -40.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -120.46 -27.56 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 58.78 50.5 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -157.8 105.03 1.77 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.523 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.9 Cg_endo -69.73 171.93 13.54 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.3 t -110.41 153.1 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . 66.6 mt-10 -35.86 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -80.12 -49.06 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.4 mm-40 -54.55 -49.96 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -57.33 -64.11 1.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -44.8 -27.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -79.43 -49.45 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.51 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.69 -28.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.68 -38.78 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -77.54 -35.69 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -94.18 -20.81 19.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' SER . 11.9 m-80 69.45 35.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.436 ' CD1' HD22 ' A' ' 14' ' ' LEU . 12.9 mt -111.23 -174.81 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' LEU . 18.0 m -112.43 135.89 52.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' SER . 7.6 mp -33.94 -42.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.465 HD12 ' ND2' ' A' ' 56' ' ' ASN . 47.6 tp -56.06 -52.17 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' SER . 22.9 mt-30 -68.21 -32.12 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.27 -66.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -54.24 -53.96 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' ND2' HD12 ' A' ' 52' ' ' LEU . 15.3 m-80 -47.38 -37.93 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.491 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 42.5 t90 -67.0 -52.52 41.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 17.4 m-85 -47.0 -32.52 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.71 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.68 -16.8 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.66 -51.88 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.474 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 2.6 ptt85 -69.38 -1.13 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 11.6 mtp-105 -91.52 -27.4 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.34 -6.85 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.43 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 43.1 mt -110.48 -40.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.695 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.2 tp -50.79 -47.45 85.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.695 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.83 -18.37 36.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 57' ' ' TRP . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 135.95 31.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.349 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -36.74 -64.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.06 -51.64 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.0 m -72.0 -35.63 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 16' ' ' ALA . 59.9 t -59.86 -52.76 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -38.82 -38.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.1 mp -64.12 -43.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' VAL . 95.8 mt -74.97 -48.47 24.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -53.95 -59.88 4.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -39.78 -46.95 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.752 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 19.6 t90 -71.84 -37.3 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -60.57 -30.4 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.79 -49.85 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -60.5 -47.1 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.752 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 68.1 m-70 -93.56 3.54 55.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.4 ptt180 -40.4 -33.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ARG . 22.2 m-85 -37.98 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.438 ' CB ' ' HG3' ' A' ' 62' ' ' ARG . . . 59.5 51.57 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -159.83 104.98 1.44 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.473 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.6 Cg_endo -69.76 167.0 25.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.2 t -105.2 151.92 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' SER . 47.3 mm-40 -34.88 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' SER . 9.2 mt-10 -78.21 -48.03 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 40.7 mm-40 -54.45 -52.64 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -55.0 -66.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.472 ' NE2' HD22 ' A' ' 51' ' ' LEU . 7.0 tp60 -44.33 -27.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ttp -79.02 -49.35 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.62 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t -51.66 -22.71 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -78.48 -40.57 35.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -76.8 -41.02 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 p -85.31 -26.92 26.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t30 74.47 34.67 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' CD1' HD22 ' A' ' 14' ' ' LEU . 11.3 mt -106.59 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -107.1 141.34 38.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 ' NE2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -45.15 -26.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 19.0 tp -74.12 -42.48 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.86 -33.18 65.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -57.01 -69.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -52.77 -46.11 67.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 52.3 m-20 -51.88 -48.42 64.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.559 ' CD1' HD12 ' A' ' 14' ' ' LEU . 47.0 t90 -57.74 -47.99 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 18.1 m-85 -52.57 -31.83 37.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -55.37 -72.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -69.65 -19.46 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 65' ' ' ILE . . . -80.35 -27.19 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.438 ' HG3' ' CB ' ' A' ' 33' ' ' ALA . 43.1 ttp85 -79.32 -14.45 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -105.3 -4.93 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -125.77 -43.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.475 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 10.0 mt -82.95 -66.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.588 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 15.2 tp -34.93 -53.72 1.06 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -31.05 21.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' ILE . 14.5 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 57' ' ' TRP . 7.0 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.54 40.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.602 2.202 . . . . 0.0 112.353 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -42.49 -63.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.24 -47.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.7 m -73.93 -47.08 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.796 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.7 t -48.42 -49.89 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -38.3 -40.0 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -65.11 -47.95 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.8 mt -69.06 -54.27 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -49.31 -58.12 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -38.79 -48.29 1.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.747 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 18.1 t90 -75.4 -36.84 60.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.497 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -64.23 -27.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.96 -57.17 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.747 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 88.9 m-70 -91.93 3.43 55.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' CA ' ' O ' ' A' ' 26' ' ' MET . 26.0 ptt-85 -40.69 -40.15 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 15.5 m-85 -37.66 -41.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 1.3 ptpt -112.83 -31.02 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.55 31.61 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 46.4 m-85 -133.94 92.01 23.24 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.689 0.757 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.74 166.11 28.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.3 t -104.47 151.69 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.7 mt-10 -35.54 -31.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.6 mp0 -76.39 -50.52 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 62.1 mm-40 -54.59 -52.01 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -54.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.5 ' OE1' ' CD1' ' A' ' 51' ' ' LEU . 52.0 tp60 -45.66 -41.77 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ttp -59.73 -52.04 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.04 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -53.93 -23.69 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.75 -36.81 62.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -82.01 -41.04 21.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.8 p -85.66 -12.86 50.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.95 32.57 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.6 mt -99.49 -175.39 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLN . 56.6 m -112.43 136.68 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.5 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 49.6 mt -35.14 -47.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.447 HD11 ' ND2' ' A' ' 56' ' ' ASN . 22.1 tp -55.98 -47.82 76.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.6 mt-30 -65.69 -39.03 90.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 mm -56.14 -69.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -54.68 -46.06 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 52' ' ' LEU . 51.2 m-20 -51.84 -44.02 63.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.546 ' CD1' HD12 ' A' ' 14' ' ' LEU . 28.3 t90 -66.07 -42.39 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' ARG . 10.6 m-85 -55.86 -41.27 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.4 mt -52.05 -72.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.07 -30.68 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -74.58 -21.9 59.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' PHE . 12.3 ttp-105 -81.12 -15.05 57.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -107.56 -2.16 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.4 ttt-85 -126.74 -43.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 3.0 mt -84.85 -61.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.635 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 18.4 tp -40.49 -51.17 6.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 -21.38 33.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.2 t70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 HD12 ' CG ' ' A' ' 57' ' ' TRP . 8.2 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.06 -64.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' ALA . 5.1 pt-20 -35.0 -54.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 m -67.52 -40.69 85.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' LEU . 71.2 t -56.1 -53.08 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -37.96 -42.84 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -63.19 -43.23 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' VAL . 93.7 mt -74.53 -57.28 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 32.3 mtp180 -45.56 -50.48 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -45.71 -43.36 12.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 43.9 t90 -76.38 -40.03 52.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' MET . . . . . 0.464 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.5 ttt -60.87 -24.09 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 1.9 t80 -76.13 -55.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -60.41 -36.79 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 89.0 m-70 -100.81 4.49 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 27' ' ' TYR . 2.6 ptp85 -35.94 -35.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.7 m-85 -40.77 -46.5 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.39 -29.85 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.428 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.09 37.85 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.418 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 20.1 m-85 -134.99 93.8 16.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.879 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.08 66.22 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' GLU . 49.7 m -87.96 155.22 19.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 33.4 mt-10 -36.63 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -79.99 -49.5 11.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' SER . 72.9 mm-40 -53.02 -51.1 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.15 -66.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 2.7 tp60 -44.23 -34.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.6 ttp -67.68 -49.8 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.55 -23.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.71 -45.25 53.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -75.45 -35.57 60.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 p -91.8 -16.6 26.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.3 m-20 61.42 36.69 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD23 ' CD2' ' A' ' 14' ' ' LEU . 18.2 mt -105.58 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLN . 9.0 m -110.76 135.94 50.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' SER . 75.5 mt -35.32 -39.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.01 -46.22 88.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.8 mt-30 -65.44 -41.12 93.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 mm -51.68 -69.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -55.69 -49.72 72.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -47.96 -37.05 13.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.49 ' CZ2' HD13 ' A' ' 65' ' ' ILE . 50.9 t90 -72.37 -42.06 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -57.91 -36.32 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.16 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -60.85 -36.81 80.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -63.25 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.46 ' CG ' ' HE2' ' A' ' 26' ' ' MET . 13.4 mtp-105 -66.48 -1.58 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.97 -25.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -126.67 -43.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' ALA . 80.1 mt -69.86 -56.92 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.601 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 6.0 tp -47.83 -53.59 30.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.79 3.32 2.85 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.5 HD11 ' CG ' ' A' ' 57' ' ' TRP . 3.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.77 137.23 34.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -34.69 -65.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -34.97 -45.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 m -77.11 -36.87 55.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 16' ' ' ALA . 55.9 t -60.48 -52.63 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -38.18 -39.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.4 mp -65.6 -45.02 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . 0.432 HD12 ' CE3' ' A' ' 57' ' ' TRP . 79.9 mt -73.09 -54.9 7.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 51.6 mtt180 -47.82 -58.51 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.81 -38.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.762 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 59.4 t90 -77.86 -49.23 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.8 ttm -52.38 -22.97 5.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.07 -62.16 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.28 -34.19 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . 0.762 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 77.9 m-70 -101.32 4.02 41.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' HIS . 3.0 ptm180 -36.21 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' HIS . 5.6 m-85 -47.21 -49.72 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 33' ' ' ALA . 9.9 ptpp? -105.56 -46.74 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 32' ' ' LYS . . . 72.73 52.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 53.4 m-85 -161.2 104.98 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.739 0.78 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 170.43 16.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.376 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.6 t -109.57 154.17 23.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' SER . 18.0 mt-10 -36.49 -29.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 36' ' ' SER . 18.6 mm-40 -80.82 -48.53 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.3 mm-40 -55.16 -53.53 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -52.5 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -46.53 -35.23 5.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.2 ttp -69.5 -51.46 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.48 -44.57 95.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -47.91 -25.99 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -73.66 -40.11 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -79.09 -41.2 29.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.6 p -86.31 -18.53 31.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' SER . 3.4 m120 65.04 28.77 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 14' ' ' LEU . 15.4 mt -97.69 -174.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.9 m -109.2 138.85 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.4 mt -38.99 -39.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.99 -48.28 79.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.74 -39.94 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -53.9 -68.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -53.74 -41.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 68.3 m-20 -54.93 -55.24 32.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . 0.5 ' CG ' HD11 ' A' ' 14' ' ' LEU . 57.2 t90 -51.52 -42.31 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 11.7 m-85 -57.86 -35.43 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 56' ' ' ASN . 76.4 mt -50.94 -71.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.76 -41.91 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -56.32 -33.59 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.458 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 53.7 ttt-85 -78.18 -7.72 57.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -105.2 -9.48 17.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -127.07 -43.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 17.8 mt -78.8 -59.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.647 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 37.5 tp -45.08 -50.32 27.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.957 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.75 -14.54 36.26 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -133.64 154.36 50.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -174.44 173.32 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 178.2 43.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -141.15 170.27 16.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -139.05 166.05 25.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.91 127.48 1.22 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -125.63 119.18 27.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -151.95 170.61 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -130.9 124.52 31.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -153.02 155.02 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.38 -142.47 0.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -51.5 176.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' CD2' HD23 ' A' ' 49' ' ' LEU . 10.8 mt -104.42 150.9 38.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.1 Cg_endo -69.72 130.57 19.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.748 2.299 . . . . 0.0 112.377 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.62 -66.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.8 tp10 -34.9 -43.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 m -75.86 -47.45 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.4 t -48.97 -46.98 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -39.42 -42.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -60.14 -45.12 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.533 HD12 ' CE3' ' A' ' 57' ' ' TRP . 73.2 mt -71.17 -50.71 30.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' O ' ' C ' ' A' ' 24' ' ' ASP . 49.0 mtm180 -54.0 -60.86 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' ARG . 11.6 t70 -36.68 -40.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.744 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 42.1 t90 -79.4 -42.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.8 ttt -58.42 -24.73 60.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -71.6 -64.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -53.13 -35.05 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.744 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 92.3 m-70 -99.66 3.3 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.6 ptt180 -37.06 -33.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 49.7 m-85 -40.36 -48.48 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -116.76 -23.66 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.45 35.3 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CE2' ' NH2' ' A' ' 62' ' ' ARG . 48.6 m-85 -134.99 96.12 14.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 167.54 24.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.325 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' GLU . 23.0 m -106.82 154.11 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' SER . 26.0 mt-10 -35.88 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.1 mp0 -76.6 -50.9 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.7 mm-40 -55.41 -51.19 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 16.2 mttt -56.55 -61.2 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.49 ' OE1' ' CD1' ' A' ' 51' ' ' LEU . 10.3 tp60 -48.98 -33.31 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ttp -68.93 -51.28 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.469 HD11 ' CD2' ' A' ' 22' ' ' LEU . 5.2 mt -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -50.77 -24.83 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -74.77 -34.49 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -84.77 -40.16 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -83.65 -26.54 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.0 t30 73.13 37.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 HD23 ' CD2' ' A' ' 14' ' ' LEU . 11.6 mt -109.76 -174.9 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' GLN . 21.4 m -109.57 133.94 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.49 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 48.3 mt -34.25 -42.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 23.4 tp -59.49 -47.78 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' SER . 28.7 mt-30 -65.55 -41.07 93.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 50.3 mm -50.42 -68.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -54.44 -44.85 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 46.2 m-20 -51.52 -47.47 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.533 ' CE3' HD12 ' A' ' 22' ' ' LEU . 48.4 t90 -61.07 -41.47 96.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -57.75 -40.39 79.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.2 mt -49.1 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -64.16 -34.38 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -60.57 -34.35 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' CE2' ' A' ' 34' ' ' TYR . 12.1 mtp-105 -74.74 -0.5 18.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -103.5 -18.59 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -125.35 -43.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.443 ' CD1' ' CZ2' ' A' ' 57' ' ' TRP . 60.3 mt -76.35 -65.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.625 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.4 tp -40.37 -52.23 5.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.72 -21.49 33.62 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.352 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ILE . 1.2 t0 -81.09 -32.22 34.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 13.7 ptp -91.72 -46.21 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 69' ' ' MET . 22.1 tp -74.01 -42.35 60.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 55.44 45.03 26.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -92.48 91.93 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -70.55 80.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -60.32 -54.17 48.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 68.99 50.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -127.06 88.76 53.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.13 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 m -56.86 124.36 18.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.14 146.7 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -178.64 2.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -103.04 -43.28 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 t 60.79 42.36 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 p -73.13 -53.65 10.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.365 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t 38.31 42.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.0 -104.8 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m 59.14 53.18 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -86.9 49.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.47 48.27 2.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -106.87 105.38 15.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.0 122.58 16.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -122.25 113.22 19.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 141.57 58.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.54 175.38 13.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.3 156.03 42.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.512 HD12 ' CG ' ' A' ' 57' ' ' TRP . 8.7 mt -77.78 150.87 79.17 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.583 0.706 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.79 133.79 26.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.82 -65.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' C ' ' O ' ' A' ' 16' ' ' ALA . 20.8 tt0 -35.95 -46.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 73.3 m -73.58 -42.24 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' LEU . 84.1 t -53.58 -53.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -39.1 -38.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -64.76 -44.22 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.187 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 19' ' ' VAL . 75.6 mt -73.58 -52.82 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -49.88 -57.28 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -39.42 -49.76 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.733 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 31.0 t90 -71.32 -41.22 70.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.9 ttt -60.62 -24.18 65.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -72.47 -51.83 18.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -63.37 -41.67 98.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.733 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 77.2 m-70 -96.29 3.68 52.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' CA ' ' O ' ' A' ' 26' ' ' MET . 33.7 ptt-85 -36.73 -38.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 25.0 m-85 -35.21 -44.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 ptpt -118.04 -23.05 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.23 31.68 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -134.99 93.98 16.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.549 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.6 Cg_endo -69.81 172.09 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' GLU . 83.5 p -107.97 154.01 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.0 tt0 -36.3 -31.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.7 mp0 -74.54 -51.73 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' SER . 71.2 mm-40 -54.47 -53.87 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.55 -64.14 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.466 ' CA ' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.88 -41.13 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.0 ttp -63.46 -51.46 65.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.96 -46.56 90.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.5 p -46.73 -31.09 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.2 -38.44 81.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -82.05 -35.64 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.8 p -88.19 -15.15 36.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' SER . 90.1 m-20 62.43 36.82 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 19.5 mt -111.38 -179.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.7 m -103.82 135.5 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 HD21 ' CA ' ' A' ' 41' ' ' GLN . 97.2 mt -38.48 -34.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 tp -65.33 -47.09 77.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.6 mt-30 -67.41 -40.95 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -49.38 -69.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 t -51.28 -49.78 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 -44.44 -41.94 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CG ' HD12 ' A' ' 14' ' ' LEU . 75.4 t90 -68.68 -39.28 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 12.9 m-85 -64.03 -30.61 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.0 mt -61.27 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -29.62 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.534 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -66.92 -50.63 61.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 62' ' ' ARG . 0.0 OUTLIER -65.98 -1.72 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -103.87 -27.74 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.07 -43.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 61' ' ' ALA . 21.6 mt -69.11 -50.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.596 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.1 tp -49.32 -54.21 32.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.72 -5.0 15.13 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -98.22 -55.29 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.4 ptm -66.14 -36.18 82.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.01 -47.78 78.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -40.14 142.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -62.44 112.0 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -130.59 -53.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 125.74 45.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -48.78 124.98 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -113.39 89.85 15.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.58 0.705 . . . . 0.0 110.895 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 174.91 8.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.2 t -88.4 149.46 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.3 162.45 15.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 147.98 63.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.268 . . . . 0.0 112.312 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m -146.22 164.64 31.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.1 p -82.35 175.2 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -131.41 -55.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -154.17 176.65 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.19 -136.4 7.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -175.03 171.42 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -159.46 171.45 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.28 152.01 18.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -171.66 136.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.86 108.14 3.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -132.52 153.65 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -104.8 157.64 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.13 148.56 5.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -119.15 156.09 30.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.552 HD12 ' CD1' ' A' ' 57' ' ' TRP . 2.0 mt -100.7 152.01 37.73 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 134.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.64 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' ALA . 8.3 tt0 -35.72 -53.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.3 p -66.28 -39.08 89.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 97.4 t -56.94 -52.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -39.58 -41.57 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.9 mp -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.562 HD11 ' CE3' ' A' ' 57' ' ' TRP . 75.3 mt -70.84 -54.95 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 23' ' ' ARG . 9.4 mtp-105 -48.75 -60.87 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 3.7 t70 -37.32 -46.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.752 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 32.5 t90 -72.91 -41.6 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.1 ttm -60.57 -25.67 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -68.62 -51.64 40.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -61.78 -46.08 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.752 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 66.9 m-70 -92.02 3.4 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.3 ptt-85 -36.82 -41.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 3.1 m-85 -37.78 -46.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -104.51 -32.97 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 57.96 49.76 11.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 47.5 m-85 -160.58 104.95 1.32 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.967 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.551 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.9 Cg_endo -69.69 173.66 10.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.732 2.288 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 38' ' ' GLU . 1.5 t -112.67 151.59 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 29.7 tt0 -34.34 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -76.41 -49.95 15.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.0 mm-40 -54.09 -53.25 55.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -54.81 -58.69 6.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.25 -32.16 15.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ttp -75.11 -52.66 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.92 -44.04 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -47.54 -24.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.15 -39.16 55.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -79.84 -39.61 30.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -87.91 -16.35 34.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.2 t30 64.87 29.35 12.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.435 HD22 ' CD2' ' A' ' 14' ' ' LEU . 10.5 mt -103.14 -175.81 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLN . 54.6 m -115.82 136.89 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 50' ' ' SER . 7.7 mp -33.71 -40.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.425 HD11 ' ND2' ' A' ' 56' ' ' ASN . 28.7 tp -56.81 -49.94 73.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.4 mt-30 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 48.9 mm -63.59 -68.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 -50.04 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.425 ' ND2' HD11 ' A' ' 52' ' ' LEU . 32.6 m-20 -48.97 -47.49 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.562 ' CE3' HD11 ' A' ' 22' ' ' LEU . 57.7 t90 -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.551 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.0 m-85 -52.95 -31.38 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.4 mt -59.82 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -66.39 -23.57 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -80.09 -27.49 39.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.506 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 39.1 ttt-85 -79.24 -11.85 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.9 ptp180 -104.95 -6.77 19.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 29.1 ttp180 -125.45 -43.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.0 mt -79.52 -62.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.621 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 17.0 tp -42.38 -52.4 10.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.3 Cg_endo -69.7 -17.63 37.74 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 4.2 m-20 -86.42 -35.56 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.1 ptp -72.59 -43.25 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 ' CD1' HD13 ' A' ' 66' ' ' LEU . 2.5 mp -62.78 -44.24 96.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 61.15 38.79 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' ARG . 21.4 mm100 -60.57 94.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLN . 9.5 ptm180 36.47 40.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -97.03 -45.05 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -46.45 102.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -116.81 144.09 32.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 113.52 3.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 t -95.4 148.36 22.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.39 137.77 19.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 138.15 36.99 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.637 2.224 . . . . 0.0 112.302 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.4 m -126.99 154.21 44.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.1 p -157.91 157.0 32.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -163.05 168.4 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -92.27 147.55 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.26 -105.44 0.58 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -73.05 85.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 m -52.9 -54.71 30.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.88 98.08 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -81.0 88.58 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -132.23 147.19 52.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -85.84 -59.59 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.0 tptp 66.82 42.38 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.55 174.99 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.17 170.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD2' HD23 ' A' ' 49' ' ' LEU . 3.5 mt -82.13 152.1 67.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.3 Cg_endo -69.71 133.77 26.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.0 -65.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.1 tm-20 -35.71 -57.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.0 m -59.46 -45.88 90.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' LEU . 60.2 t -53.58 -51.25 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' VAL . 1.5 tmtp? -37.04 -35.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.72 -43.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' VAL . 78.1 mt -74.85 -45.76 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.415 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 17.1 mtm105 -57.13 -56.37 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.73 -38.88 4.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.597 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 39.3 t90 -76.37 -44.09 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.493 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.1 ttm -52.51 -30.39 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 3.0 t80 -68.32 -57.83 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -54.65 -48.88 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.597 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 9.0 m-70 -89.77 3.5 52.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' CA ' ' O ' ' A' ' 26' ' ' MET . 25.6 ptt180 -40.81 -33.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -38.47 -48.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -111.92 -17.65 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 50.63 51.15 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 50.0 m-85 -162.21 105.02 1.11 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.498 ' HA ' ' CH2' ' A' ' 25' ' ' TRP . 54.4 Cg_endo -69.72 171.67 14.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.396 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 53.2 m -109.1 151.58 26.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' SER . 3.5 mp0 -36.31 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 8.0 mm-40 -75.67 -48.42 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.4 mm-40 -57.45 -60.96 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -43.87 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 41' ' ' GLN . 2.3 tp60 -53.7 -37.88 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 39' ' ' GLU . 9.5 tmm? -67.16 -52.81 36.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.71 -42.84 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.73 -27.25 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -71.99 -36.03 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -35.88 24.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 p -92.74 -15.88 26.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.9 m120 60.31 32.49 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.458 HD23 ' CD2' ' A' ' 14' ' ' LEU . 14.8 mt -99.54 -175.59 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.9 m -107.61 136.24 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 60.0 mt -38.17 -35.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -66.46 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.2 mt-30 -64.72 -36.8 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.9 mm -55.56 -67.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 t -55.03 -44.43 74.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -53.09 -51.33 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 51.8 t90 -55.33 -36.55 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.494 ' O ' ' NE ' ' A' ' 62' ' ' ARG . 12.2 m-85 -63.6 -19.97 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -71.4 -63.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -71.08 -28.47 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -70.57 -44.75 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 58' ' ' PHE . 13.2 mtm105 -68.24 -1.15 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 71.4 mtt180 -99.63 -28.38 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.45 -42.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 61' ' ' ALA . 50.1 mt -69.45 -56.83 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.608 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 6.0 tp -46.51 -53.18 25.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.699 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.608 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.1 Cg_endo -69.82 -7.93 22.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.48 -43.73 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.564 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 15.3 ptp -86.68 -42.59 13.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.418 HD11 ' NH1' ' A' ' 30' ' ' ARG . 25.4 tp -78.87 -27.06 43.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 49.8 50.84 17.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -79.02 82.14 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.9 103.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -127.78 -43.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -130.22 40.85 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -125.39 100.42 32.26 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 130.77 19.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.337 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 t -48.98 105.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.34 -95.24 0.12 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.75 54.9 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.8 t -136.94 156.07 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.822 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 82.4 p -95.65 -36.62 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -174.65 158.09 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -102.04 -47.91 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.57 151.87 2.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t -162.24 161.69 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -166.61 152.58 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.54 -55.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -42.1 139.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -142.41 141.16 32.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -172.45 126.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -50.37 159.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.1 107.0 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.424 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -89.73 162.63 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.513 HD11 ' CG ' ' A' ' 57' ' ' TRP . 5.5 mt -97.41 147.81 33.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.8 139.96 41.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.93 -64.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.5 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 11.1 pt-20 -35.09 -51.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.3 t -69.49 -41.46 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ALA . 85.2 t -54.72 -52.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -39.89 -42.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -62.21 -46.46 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 HD13 ' CE3' ' A' ' 57' ' ' TRP . 70.6 mt -70.84 -57.23 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -46.24 -52.39 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -44.15 -43.36 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.746 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 68.9 t90 -77.92 -49.51 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.557 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 2.8 ttt -54.33 -23.09 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -72.49 -62.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.746 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 86.9 m-70 -101.71 3.4 39.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' CA ' ' O ' ' A' ' 26' ' ' MET . 14.1 ptt85 -38.02 -35.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -41.35 -44.88 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -114.87 -32.61 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.03 25.14 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 56.6 m-85 -129.03 88.66 50.91 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.11 19.7 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 4.3 t -104.93 149.59 25.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.3 mt-10 -34.51 -32.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.8 mp0 -73.51 -51.74 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' SER . 17.0 mt-10 -58.3 -51.62 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.8 mttt -53.31 -54.13 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -48.94 -39.94 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.0 mt -71.14 -36.27 72.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -53.8 -24.32 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.43 -43.46 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -30.64 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 p -97.77 -17.45 19.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.5 t-20 63.38 31.62 15.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 10.9 mt -104.35 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.971 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLN . 20.1 m -115.38 135.61 53.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 50' ' ' SER . 7.7 mp -33.61 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -56.92 -47.69 80.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 23.2 mt-30 -72.38 -34.4 67.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.9 mm -56.39 -69.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.7 t -56.32 -45.9 80.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 57.7 m-20 -48.71 -44.75 38.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.513 ' CG ' HD11 ' A' ' 14' ' ' LEU . 57.5 t90 -63.24 -41.62 99.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 26' ' ' MET . 12.6 m-85 -58.53 -42.51 87.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.2 mt -50.85 -67.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -54.17 -34.09 59.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.475 ' HG3' ' CE ' ' A' ' 26' ' ' MET . 9.8 mtp-105 -69.48 -0.61 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 mtp180 -103.5 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -126.29 -43.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' A' ' 61' ' ' ALA . 12.4 mt -70.69 -61.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.591 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 7.3 tp -44.63 -54.04 13.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.591 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.2 Cg_endo -69.81 -11.21 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.228 . . . . 0.0 112.316 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -89.04 -43.38 11.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 19.6 ptp -63.6 -46.66 84.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 66' ' ' LEU . 2.3 mp -55.69 -46.82 77.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 70' ' ' LEU . 20.2 mm100 -35.3 -46.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -52.31 161.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -42.17 106.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 14.1 mtm105 -84.48 172.66 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -124.36 135.0 52.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -114.55 90.78 22.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.819 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 132.94 24.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.703 2.268 . . . . 0.0 112.302 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -51.52 110.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.78 148.43 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -178.26 2.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.5 p -128.84 165.05 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -136.3 165.55 25.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -117.36 166.95 11.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.375 . . . . 0.0 110.837 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -148.07 139.03 23.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.33 168.4 11.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -159.26 144.23 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -160.26 125.31 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.26 137.67 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -110.43 100.55 9.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -153.06 124.72 7.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -119.5 173.04 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.1 pttt 40.35 39.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.11 138.28 13.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -88.02 173.3 8.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' CD2' HD23 ' A' ' 49' ' ' LEU . 6.0 mt -107.77 151.16 41.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.454 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.78 138.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -33.01 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 3.2 tp10 -34.14 -47.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.4 m -74.88 -39.2 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 16' ' ' ALA . 20.7 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -38.11 -40.7 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 3.9 mp -60.7 -42.3 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.483 HD12 ' CE3' ' A' ' 57' ' ' TRP . 85.2 mt -77.79 -46.68 20.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 43.9 mtt-85 -55.18 -55.11 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -47.83 -39.67 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.746 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 41.6 t90 -76.57 -39.38 52.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -59.97 -25.98 65.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -69.98 -56.85 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -58.31 -38.7 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.746 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 85.6 m-70 -98.44 3.77 48.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 ptt180 -36.6 -41.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -39.08 -65.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -84.55 -41.35 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.47 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 65.58 48.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -159.22 105.0 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.934 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' GLU . 17.1 t -109.46 154.06 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -38.61 -26.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mm-40 -83.56 -44.09 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.7 mm-40 -60.92 -55.24 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -49.81 -60.14 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.495 ' OE1' ' CD1' ' A' ' 51' ' ' LEU . 4.2 tp60 -50.14 -37.59 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.7 ttp -66.2 -53.23 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.79 -38.31 84.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.7 t -54.28 -26.69 30.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -75.24 -39.8 59.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.44 -27.24 46.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.47 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 81.3 p -100.79 -20.35 15.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' SER . 18.7 t30 66.98 36.03 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.439 HD23 ' CD2' ' A' ' 14' ' ' LEU . 12.7 mt -104.29 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 22.7 m -109.04 134.47 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.495 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 40.5 mt -35.15 -41.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.24 -45.87 91.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 36.3 mt-30 -66.92 -37.96 85.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.2 mm -55.25 -67.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -55.75 -50.95 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -46.94 -44.87 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 61.5 t90 -62.94 -57.79 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.0 m-85 -43.1 -37.88 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -53.5 -72.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -43.96 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.458 ' HB1' ' CD1' ' A' ' 65' ' ' ILE . . . -60.79 -24.26 65.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.468 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 59.8 ttt-85 -79.2 -7.77 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -103.96 -11.76 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.441 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 11.5 mtp-105 -124.91 -42.77 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.489 HD12 ' CZ2' ' A' ' 57' ' ' TRP . 2.7 mt -77.71 -63.66 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.609 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.4 tp -39.84 -52.92 4.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.609 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 2.2 m-20 -80.01 -40.07 28.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.7 ptp -87.53 -33.62 18.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.19 -30.72 66.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' GLN . 33.7 mm-40 -50.96 148.76 3.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' GLN . 15.1 mp0 -34.27 140.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -95.44 -179.26 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 tpt85 -74.93 133.29 41.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -39.32 125.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.82 148.33 46.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.52 24.24 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.352 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -85.26 108.69 17.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.02 146.2 16.92 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 121.61 8.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.6 p -159.99 148.01 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.4 t -40.93 -60.54 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -60.45 -58.67 7.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -82.13 175.62 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 135.58 -51.61 0.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' GLY . 35.2 t -34.59 -54.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -52.88 142.56 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.59 100.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -133.36 157.48 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -142.92 159.08 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -123.97 40.77 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -136.27 172.14 13.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.87 162.03 11.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.523 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -150.36 146.22 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.521 HD12 ' CG ' ' A' ' 57' ' ' TRP . 17.6 mt -70.76 148.17 94.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.651 0.739 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 145.59 57.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.7 -61.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 14.3 pt-20 -36.21 -51.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -68.17 -49.27 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.424 ' CG1' ' HG3' ' A' ' 23' ' ' ARG . 82.5 t -46.73 -46.82 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -40.26 -43.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.441 ' HB ' ' CG2' ' A' ' 47' ' ' THR . 4.2 mp -61.97 -44.24 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.531 HD11 ' CE3' ' A' ' 57' ' ' TRP . 96.8 mt -71.82 -58.05 3.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 26.5 mtp180 -46.52 -55.19 7.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -40.4 -42.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.587 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 33.5 t90 -78.5 -42.38 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.44 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.4 ttt -57.22 -20.22 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -77.33 -52.06 9.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -62.24 -46.39 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 18.0 m-70 -92.12 3.64 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CA ' ' O ' ' A' ' 26' ' ' MET . 17.6 ptt85 -36.77 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' HIS . 20.6 m-85 -43.49 -45.63 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -112.65 -27.16 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.15 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 47.0 m-85 -131.03 91.44 36.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.675 0.75 . . . . 0.0 110.969 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.66 33.74 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' GLU . 40.8 t -102.83 150.46 23.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 20.4 mt-10 -35.66 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mt-10 -76.02 -49.18 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.9 mt-10 -56.96 -54.94 40.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.443 ' HB3' ' CG2' ' A' ' 54' ' ' ILE . 17.0 mttt -50.56 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.474 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.87 -47.05 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 ttp -55.16 -41.72 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mt -75.04 -38.12 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -50.95 -28.9 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -74.12 -35.14 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -32.57 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 80.4 p -93.21 -12.27 30.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 62.03 30.46 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD23 ' CD2' ' A' ' 14' ' ' LEU . 19.5 mt -103.2 -176.19 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' LEU . 19.4 m -105.39 133.95 49.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 41' ' ' GLN . 12.2 mt -35.43 -38.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.58 -54.93 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -57.48 -31.77 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.443 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 21.3 mm -65.16 -62.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -52.24 -54.19 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.437 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 13.5 m-80 -49.88 -57.5 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.531 ' CE3' HD11 ' A' ' 22' ' ' LEU . 56.9 t90 -43.49 -52.34 6.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.487 ' O ' ' N ' ' A' ' 62' ' ' ARG . 9.9 m-85 -50.63 -40.59 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.437 ' CD1' ' HA ' ' A' ' 56' ' ' ASN . 66.3 mt -48.33 -72.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 m120 -63.42 -40.06 96.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' HB3' ' CD1' ' A' ' 65' ' ' ILE . . . -63.73 -23.82 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.601 ' NE ' ' CE2' ' A' ' 34' ' ' TYR . 52.1 ttt-85 -79.48 -14.76 58.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ptp180 -106.27 -3.61 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.5 ttp180 -126.35 -43.14 1.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 7.7 mt -82.41 -61.74 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.645 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.5 tp -42.52 -50.43 12.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.76 -19.57 35.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' OD1' ' O ' ' A' ' 68' ' ' ASP . 25.6 t0 -86.43 -34.74 20.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 17.3 ptp -70.9 -43.54 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -47.97 -53.16 16.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 61.11 43.52 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 74' ' ' ARG . 3.1 tp60 -44.26 158.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 74' ' ' ARG . 1.1 mmp_? -34.7 -33.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' GLN . 25.5 mmt180 -34.42 141.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 75' ' ' ASN . 5.0 p-10 -34.52 104.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -114.35 144.14 31.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 179.48 3.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.308 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -69.8 137.99 52.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.47 157.41 15.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.532 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.31 46.42 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.6 m -160.58 158.87 29.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.5 p -170.85 160.28 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -127.91 170.93 12.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -108.38 -50.5 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.16 49.72 18.09 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -61.1 131.57 50.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -130.86 -48.07 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.79 132.68 5.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -147.23 167.48 24.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.826 0.346 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -127.26 107.37 9.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -174.78 158.99 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.92 137.84 32.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.6 139.91 3.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.15 153.05 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD11 ' CG ' ' A' ' 57' ' ' TRP . 3.8 mt -82.34 148.51 59.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 138.96 39.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.49 -63.24 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.498 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 27.8 tt0 -36.13 -55.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.8 t -66.39 -39.78 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.16 -53.7 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -39.61 -40.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.6 mp -64.18 -44.35 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.486 HD11 ' CE3' ' A' ' 57' ' ' TRP . 78.4 mt -74.53 -56.66 4.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -44.94 -57.17 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -41.47 -48.89 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.742 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 19.5 t90 -71.81 -36.94 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -63.87 -26.01 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -73.12 -53.26 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -63.78 -35.21 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.742 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 92.0 m-70 -101.93 3.64 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.6 ptt-85 -40.59 -28.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.0 m-30 -42.03 -53.78 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -102.8 -30.09 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.468 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 61.16 47.13 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 56.5 m-85 -160.71 104.97 1.3 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.674 0.75 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.515 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.76 166.29 28.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 43.8 t -99.98 151.75 20.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -37.1 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -83.31 -46.35 12.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.2 mm-40 -55.44 -51.0 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -54.37 -65.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.7 tp60 -42.1 -38.22 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 ttp -64.59 -50.51 66.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.1 mt -64.16 -44.55 91.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 t -46.66 -21.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.5 -41.24 40.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -78.92 -29.65 44.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.1 p -95.18 -29.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 73.38 35.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 8.0 mt -106.13 -174.88 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 5.0 m -107.65 134.89 49.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' SER . 91.5 mt -36.68 -37.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 40.6 tp -65.14 -45.66 84.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.7 mt-30 -68.27 -33.77 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.41 -68.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 t -56.26 -43.48 78.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -55.1 -41.9 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.486 ' CE3' HD11 ' A' ' 22' ' ' LEU . 16.1 t90 -66.47 -43.06 86.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.515 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.1 m-85 -53.52 -36.79 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.39 -63.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -66.15 -29.52 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.42 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -79.13 -24.2 43.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' PHE . 61.4 ttt-85 -77.58 -12.81 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -106.35 -4.71 19.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -125.96 -44.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' ASP . 25.4 mt -84.02 -66.07 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.578 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 8.7 tp -33.53 -54.51 0.73 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -30.43 22.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ILE . 15.4 t70 -72.27 -29.9 64.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.9 ptp -89.46 -33.8 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.36 -30.56 19.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -52.3 171.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -75.83 48.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -53.59 11.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -121.63 152.25 39.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -45.6 131.15 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -110.0 148.42 38.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.606 0.717 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 114.32 3.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.335 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.6 p -78.45 149.99 33.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 158.25 -160.26 30.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 137.61 36.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.7 t -116.78 157.93 24.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.5 m -164.88 171.36 14.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -153.99 141.18 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -134.23 175.52 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.1 121.25 0.59 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -141.5 119.01 11.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -139.78 147.47 40.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.04 175.95 38.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -107.18 167.48 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -38.96 -49.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -147.83 127.01 12.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -134.97 100.34 4.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.35 -138.53 4.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.444 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -149.15 160.65 43.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.54 HD13 ' CD1' ' A' ' 57' ' ' TRP . 7.5 mt -61.32 148.5 85.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.77 134.53 28.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -37.23 -61.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 18' ' ' SER . 10.3 pt-20 -38.95 -41.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 54.4 p -80.26 -44.96 18.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.5 t -52.56 -50.06 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -39.66 -43.08 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -59.48 -46.32 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.563 HD11 ' CE3' ' A' ' 57' ' ' TRP . 84.3 mt -71.02 -52.05 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' ASP . 51.1 mtm180 -51.87 -62.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 6.9 t70 -37.74 -38.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.755 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 52.4 t90 -79.16 -47.84 15.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.4 ttm -56.2 -23.39 35.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -70.74 -50.94 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.28 -35.22 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.755 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 80.2 m-70 -99.7 3.87 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' MET . 28.6 ptt180 -36.47 -40.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -39.62 -53.13 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -98.55 -36.79 9.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.46 49.07 5.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.409 ' OH ' ' NE ' ' A' ' 62' ' ' ARG . 43.7 m-85 -158.79 104.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 54.2 Cg_endo -69.75 166.01 29.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' GLU . 71.0 m -103.12 151.59 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' SER . 5.9 tt0 -35.41 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' SER . 21.0 mt-10 -79.29 -48.47 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.6 mm-40 -52.31 -54.41 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -53.91 -60.17 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -52.44 -26.6 13.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.6 ttp -77.25 -51.07 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.464 HD13 ' CD2' ' A' ' 22' ' ' LEU . 4.9 mt -63.65 -45.14 91.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 p -47.11 -26.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -76.94 -41.35 43.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -82.72 -17.92 42.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.59 38.55 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 11.1 mt -111.58 -176.27 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 p -108.4 143.02 37.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.4 mt -41.21 -38.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.78 -51.03 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.52 -38.03 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.8 mm -53.36 -68.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.71 -40.66 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -53.36 -37.67 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.563 ' CE3' HD11 ' A' ' 22' ' ' LEU . 28.7 t90 -72.08 -33.74 68.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 14.9 m-85 -63.56 -27.28 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.52 -64.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -32.91 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.562 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -67.55 -57.27 6.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.461 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 59.4 ttp85 -57.78 -9.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -86.3 -34.73 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 -44.4 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.562 ' N ' ' O ' ' A' ' 61' ' ' ALA . 43.8 mt -58.96 -58.17 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.551 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 9.9 tp -48.34 -56.07 15.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.74 -1.83 9.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -97.73 -38.61 9.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 21.9 ptp -72.16 -37.12 69.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.445 ' CD1' HD11 ' A' ' 66' ' ' LEU . 3.2 mp -65.87 -33.64 76.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 55.03 42.97 30.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -54.41 173.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -44.46 100.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -153.82 144.15 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -77.33 87.94 3.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -124.09 143.61 42.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.66 45.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -93.11 148.27 22.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.85 -74.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.87 40.4 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -163.64 162.38 24.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' GLY . 6.4 t -125.93 133.01 51.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -157.79 177.54 11.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -143.38 170.67 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.48 144.8 16.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 52.6 m -149.92 164.43 35.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.7 t -37.17 -62.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.33 153.43 17.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' C ' ' HD2' ' A' ' 9' ' ' LYS . 6.9 mptt -103.68 -71.23 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.415 ' HD2' ' C ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -135.86 174.53 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 157.16 16.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -94.69 171.94 8.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.41 169.96 35.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -121.81 156.33 33.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 HD11 ' CG ' ' A' ' 57' ' ' TRP . 11.6 mt -99.4 151.87 37.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.625 0.726 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 137.17 34.85 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.2 -63.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' ALA . 16.8 tt0 -35.11 -54.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -69.64 -49.53 52.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.458 ' CG1' ' HG3' ' A' ' 23' ' ' ARG . 69.4 t -45.64 -50.9 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -39.84 -41.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 mp -62.76 -48.1 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.406 HD12 ' CE3' ' A' ' 57' ' ' TRP . 67.7 mt -70.04 -56.0 8.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.458 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 21.9 mtp180 -46.39 -57.07 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -39.98 -46.79 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 33.6 t90 -74.74 -42.25 58.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.492 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -60.24 -23.17 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -71.16 -51.83 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.47 -44.6 90.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 72.2 m-70 -92.2 3.47 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' CA ' ' O ' ' A' ' 26' ' ' MET . 37.2 ptt180 -37.29 -39.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.5 t80 -38.07 -48.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -107.03 -16.03 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.47 ' CB ' HD21 ' A' ' 66' ' ' LEU . . . 38.3 28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 44.1 m-85 -134.68 92.0 20.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.553 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.77 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 29.0 t -103.97 151.35 23.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' SER . 9.1 tt0 -34.3 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 49.1 mt-10 -69.27 -54.05 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mm-40 -55.27 -60.5 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.415 ' HB3' ' CG2' ' A' ' 54' ' ' ILE . 15.0 mttt -45.36 -58.11 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.498 ' NE2' ' O ' ' A' ' 41' ' ' GLN . 0.0 OUTLIER -48.37 -49.96 32.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 43' ' ' LEU . 7.4 tmm? -54.67 -52.46 62.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.414 ' N ' ' SD ' ' A' ' 42' ' ' MET . 5.0 mt -61.06 -38.32 85.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -52.34 -21.71 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.57 -39.51 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -79.54 -39.77 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -84.69 -11.58 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.38 31.0 17.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 22.7 mt -100.33 -177.19 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' GLN . 85.6 p -104.57 133.92 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.4 HD21 ' N ' ' A' ' 41' ' ' GLN . 12.2 mt -38.53 -31.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.0 tp -68.82 -45.45 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.5 mt-30 -68.84 -33.16 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.415 ' CG2' ' HB3' ' A' ' 40' ' ' LYS . 33.3 mm -57.42 -67.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -52.4 -46.0 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -50.55 -51.45 47.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.489 ' CG ' HD11 ' A' ' 14' ' ' LEU . 54.3 t90 -60.36 -44.32 95.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 11.1 m-85 -58.29 -42.41 86.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -51.85 -70.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -62.22 -46.86 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -59.94 -21.02 60.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -79.62 -17.5 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.43 ' HA ' ' NH2' ' A' ' 62' ' ' ARG . 2.6 ptm180 -104.56 -2.64 24.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -126.0 -42.67 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 68' ' ' ASP . 2.0 mt -83.23 -67.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.58 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 11.5 tp -34.19 -54.68 0.86 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.58 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.8 -28.48 24.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.9 t70 -77.4 -24.73 50.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.427 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 21.3 ptp -88.86 -44.29 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.427 ' N ' ' HG3' ' A' ' 69' ' ' MET . 10.9 mt -46.85 -37.56 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -50.85 99.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -87.25 133.41 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -152.04 130.76 12.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 74' ' ' ARG . 2.4 mpt_? -91.2 112.52 24.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -157.67 125.46 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -120.0 88.85 41.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.572 0.701 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.77 18.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.2 t -94.1 151.33 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.78 -165.92 11.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 102.2 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.0 t -72.97 -57.38 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.7 m -129.02 120.83 26.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -70.95 -44.81 65.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 41.59 45.42 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.09 86.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -143.36 172.46 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -118.72 129.05 55.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.47 144.46 16.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -107.24 168.44 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -70.31 119.19 14.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -139.76 123.09 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -128.17 134.55 49.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.3 -173.74 27.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -101.9 160.66 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 HD11 ' CD1' ' A' ' 57' ' ' TRP . 0.9 OUTLIER -83.61 151.39 61.65 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.968 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 143.45 50.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -45.76 -60.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 18' ' ' SER . 11.2 pt-20 -36.28 -42.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.432 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 10.5 p -78.91 -39.44 34.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.497 ' O ' ' N ' ' A' ' 22' ' ' LEU . 59.4 t -55.61 -52.38 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' VAL . 19.4 tttp -35.69 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.0 mp -66.91 -45.53 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 19' ' ' VAL . 98.3 mt -72.4 -48.12 43.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' MET . 12.9 mtm105 -54.91 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' ARG . 9.7 t0 -37.11 -44.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.748 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 18.4 t90 -75.15 -38.39 60.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -60.12 -28.83 68.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.3 -53.8 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.94 -40.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.748 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 84.5 m-70 -97.89 3.56 49.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' MET . 15.9 ptt180 -38.47 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' HIS . 15.9 m-85 -40.07 -46.2 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -24.41 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 55.0 51.36 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -160.45 104.99 1.34 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.664 0.745 . . . . 0.0 110.926 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.555 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.78 157.3 60.8 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 28.7 t -95.66 153.14 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' SER . 30.0 mt-10 -35.75 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 34.2 mm-40 -78.96 -48.4 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 70.2 mm-40 -52.71 -53.08 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 42' ' ' MET . 17.4 mttt -55.04 -63.31 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.409 ' CD ' HD13 ' A' ' 51' ' ' LEU . 10.7 tp60 -44.15 -22.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' LYS . 12.8 ttp -88.15 -49.01 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.49 -38.67 90.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 p -55.99 -24.24 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.87 -40.29 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.0 mttm -77.42 -40.72 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 62.6 p -82.25 -19.86 38.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 70.82 28.27 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 7.1 mt -105.67 -174.18 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.1 m -114.88 137.66 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 50' ' ' SER . 7.1 mp -34.73 -43.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.92 -45.6 78.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' SER . 33.8 mt-30 -73.82 -31.97 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -57.97 -69.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m -51.99 -51.25 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 64.2 m-20 -43.47 -38.76 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.506 ' CD1' HD11 ' A' ' 14' ' ' LEU . 68.0 t90 -68.96 -50.42 49.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.555 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 31.3 m-85 -52.5 -31.59 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.2 mt -53.63 -72.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -68.88 -39.72 79.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.522 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -54.0 -48.7 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.431 ' CG ' HD22 ' A' ' 66' ' ' LEU . 40.3 ttt-85 -59.66 -9.28 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -103.76 -20.79 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -125.48 12.51 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.522 ' N ' ' O ' ' A' ' 61' ' ' ALA . 5.6 mt -132.91 -61.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.2 tp -46.52 -52.76 28.28 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -8.99 25.0 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.398 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -95.38 -31.12 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.9 ptp -94.95 -39.05 10.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.58 -29.51 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -49.9 150.44 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -52.18 127.13 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -143.73 -176.1 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -106.03 91.83 3.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -163.69 172.25 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.54 96.37 7.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 115.49 4.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t -89.04 103.99 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.63 124.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -40.68 4.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.1 t 68.36 39.77 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.3 p -118.04 127.29 53.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -163.16 154.71 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -125.42 118.45 25.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.72 96.48 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -112.48 169.57 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -101.11 -41.93 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.57 141.48 3.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -82.52 46.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -96.02 -42.73 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -54.54 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.7 143.67 29.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.55 85.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.521 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -138.76 147.28 42.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD11 ' CD1' ' A' ' 49' ' ' LEU . 17.0 mt -111.24 151.4 43.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.79 133.46 25.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.05 -63.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.6 tt0 -36.26 -53.91 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -68.02 -48.1 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . 53.2 t -47.34 -53.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' VAL . 47.0 tttm -36.69 -41.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -63.9 -47.55 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.419 ' N ' ' O ' ' A' ' 19' ' ' VAL . 83.5 mt -69.95 -54.39 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 9.7 mtp-105 -49.15 -61.57 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -39.26 -42.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 20.6 t90 -76.65 -38.67 54.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.6 ttt -59.42 -23.85 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.512 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 1.9 t80 -71.64 -62.37 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -53.64 -35.68 61.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 86.6 m-70 -101.63 3.41 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' MET . 16.1 ptt180 -41.58 -30.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.86 -44.21 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -114.26 -26.63 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.413 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 57.01 48.35 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -159.85 105.03 1.43 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.727 0.775 . . . . 0.0 110.946 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.78 172.64 12.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' GLU . 9.2 t -106.32 150.73 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -37.64 -27.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.9 mt-10 -80.59 -49.34 11.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' SER . 48.9 mt-10 -57.55 -53.1 61.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -49.7 -56.29 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -53.35 -34.5 57.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.2 ttp -69.51 -53.37 19.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.61 -46.13 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.18 -26.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -72.52 -40.78 66.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -38.29 32.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.2 p -87.8 -19.72 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 86.3 m-20 63.37 38.54 10.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' CD1' HD11 ' A' ' 14' ' ' LEU . 15.3 mt -109.09 -175.95 2.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.0 m -107.38 134.17 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' SER . 97.9 mt -34.84 -41.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.76 -47.2 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.2 mt-30 -65.13 -38.56 91.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.7 mm -54.18 -68.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 t -54.12 -46.73 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.47 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 74.2 m-20 -51.21 -53.08 38.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.515 ' CZ2' HD13 ' A' ' 65' ' ' ILE . 62.5 t90 -54.0 -44.41 70.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -56.58 -33.12 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.47 ' CD1' ' HA ' ' A' ' 56' ' ' ASN . 69.2 mt -54.56 -72.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -61.32 -44.4 97.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -52.98 -43.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.459 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 50.2 ttp85 -65.44 -2.25 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' H ' ' C ' ' A' ' 61' ' ' ALA . 75.8 mtt-85 -103.6 -27.8 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -125.46 -43.63 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.54 ' N ' ' O ' ' A' ' 61' ' ' ALA . 5.8 mt -68.27 -57.75 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.59 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 12.1 tp -46.02 -54.02 18.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.59 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.79 -8.49 23.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.352 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -89.79 -47.29 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.512 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 17.1 ptp -74.34 -33.82 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.75 -45.41 49.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' CD ' ' O ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -107.56 48.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -97.64 173.47 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 61.44 45.87 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -59.65 125.63 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 53.43 41.45 32.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.5 t70 -95.17 140.05 22.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 76' ' ' ASP . 53.4 Cg_endo -69.8 162.43 42.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.239 . . . . 0.0 112.331 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.6 t -49.51 146.99 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.93 145.95 6.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.05 29.96 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.28 . . . . 0.0 112.311 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.5 m -46.38 -56.4 5.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m 48.24 43.11 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -110.82 95.9 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.934 0.397 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -124.91 -57.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.44 107.07 3.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 m -63.04 140.29 58.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -40.18 106.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 -127.55 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.99 155.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -139.6 114.8 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -132.58 155.16 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.452 ' HD3' ' N ' ' A' ' 12' ' ' GLY . 11.8 tmtt? -101.51 144.58 30.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' HD3' ' A' ' 11' ' ' LYS . . . 137.03 172.06 12.4 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.497 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -64.63 166.54 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 HD13 ' CG ' ' A' ' 57' ' ' TRP . 2.6 mt -91.29 151.58 43.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 141.5 45.15 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -41.52 -61.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.478 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 9.9 pt-20 -36.47 -45.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.43 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 4.1 t -76.09 -38.86 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG11 ' NE ' ' A' ' 23' ' ' ARG . 58.6 t -54.86 -53.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -39.51 -43.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.6 mp -60.63 -49.68 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.05 -56.41 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' NE ' HG11 ' A' ' 19' ' ' VAL . 53.5 mtm180 -46.12 -59.66 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -37.07 -42.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.531 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 72.7 t90 -75.54 -54.97 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.501 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -48.54 -19.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -75.11 -49.58 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -66.73 -36.57 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.531 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.4 m-70 -101.67 4.03 40.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' CA ' ' O ' ' A' ' 26' ' ' MET . 34.5 ptt180 -36.48 -29.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.5 t80 -54.7 -48.8 72.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -38.32 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' HB2' ' CD ' ' A' ' 62' ' ' ARG . . . 57.43 37.39 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -134.99 89.74 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.88 58.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 37.3 t -86.15 153.92 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' SER . 6.6 mm-40 -33.1 -42.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.31 -50.94 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.1 mm-40 -53.73 -54.05 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -56.01 -60.56 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 -51.73 -34.61 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.3 ttp -68.37 -52.82 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -48.1 -23.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.06 -36.31 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -32.85 18.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.8 p -89.19 -24.06 22.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 7.0 t-20 67.38 30.45 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.4 mt -101.22 -177.25 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLN . 58.1 m -106.34 137.45 44.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.1 mt -38.31 -38.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 tp -64.39 -48.45 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' SER . 30.5 mt-30 -65.0 -41.24 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -49.27 -68.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -56.37 -45.96 80.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -49.01 -38.62 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.401 ' CG ' HD13 ' A' ' 14' ' ' LEU . 23.1 t90 -74.65 -41.63 59.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -57.42 -31.98 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.39 -69.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -55.92 -28.36 56.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -75.76 -42.29 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.469 ' CD ' ' HB2' ' A' ' 33' ' ' ALA . 57.5 ttt-85 -66.96 -0.9 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -103.35 -25.7 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -125.67 -43.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.503 ' N ' ' O ' ' A' ' 61' ' ' ALA . 8.4 mt -67.03 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.594 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 12.3 tp -45.71 -54.01 17.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.594 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.79 -9.02 25.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 14.8 t0 -90.05 -38.67 13.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 21.9 ptp -73.81 -44.02 57.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.455 ' CD2' HD13 ' A' ' 66' ' ' LEU . 3.3 mm? -40.63 -43.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -48.85 176.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 61.88 44.27 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -140.95 150.72 43.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.2 31.83 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -71.68 114.37 9.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -108.55 146.72 34.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.72 18.24 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -104.21 158.92 16.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.97 160.19 0.54 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 2.82 3.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 t -40.17 98.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.5 m -167.0 144.55 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -166.59 147.26 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t -165.61 139.81 4.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.09 161.54 29.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -172.08 139.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -131.67 -61.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.12 140.49 6.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -101.64 90.92 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -102.96 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.34 28.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -118.84 155.42 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.02 132.16 7.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.466 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -117.4 167.68 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD22 ' CD1' ' A' ' 49' ' ' LEU . 5.1 mt -100.07 148.13 34.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.79 142.82 48.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.387 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.19 -67.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.437 ' C ' ' O ' ' A' ' 16' ' ' ALA . 22.6 tt0 -35.13 -57.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 t -59.63 -47.18 86.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.4 t -52.33 -53.67 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -39.25 -40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -62.7 -50.35 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.473 HD11 ' CE3' ' A' ' 57' ' ' TRP . 91.9 mt -68.74 -54.83 13.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -46.76 -61.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -39.13 -43.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 34.6 t90 -74.48 -40.85 61.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -55.99 -29.32 60.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.71 -51.89 55.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -57.06 -49.33 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 8.3 m-70 -90.74 4.01 52.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 27.6 ptt-85 -36.33 -41.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.437 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 37.7 m-85 -43.88 -49.95 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 10.0 ptpt -98.2 -45.34 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 72.43 50.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.455 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 43.8 m-85 -161.15 104.96 1.24 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.636 0.731 . . . . 0.0 110.977 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.489 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.74 166.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.6 m -98.77 153.45 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -40.11 -25.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mp0 -86.22 -47.83 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -50.73 -50.42 55.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -56.78 -66.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -43.28 -28.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.3 ttp -77.11 -48.99 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.428 HD13 ' CD2' ' A' ' 22' ' ' LEU . 5.7 mt -65.38 -44.22 88.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -49.54 -23.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.96 -43.69 52.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -75.86 -41.02 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -81.71 -22.6 37.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 71.2 29.3 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.422 ' CD1' HD22 ' A' ' 14' ' ' LEU . 9.8 mt -103.85 -174.61 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 6.0 m -114.41 134.84 54.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 50' ' ' SER . 7.9 mp -33.34 -40.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.401 ' CD1' HD22 ' A' ' 56' ' ' ASN . 28.5 tp -57.73 -48.46 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.1 mt-30 -72.54 -31.16 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.37 -68.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 t -57.07 -48.76 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 59.5 m-20 -49.08 -40.93 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.473 ' CE3' HD11 ' A' ' 22' ' ' LEU . 34.6 t90 -65.03 -45.67 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -54.5 -37.62 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.464 ' CD1' ' HA ' ' A' ' 56' ' ' ASN . 55.1 mt -51.08 -64.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.94 -30.16 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -63.9 -38.92 92.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.467 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 15.6 mtp-105 -69.87 -0.16 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.4 mtt180 -103.36 -23.91 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -125.38 -43.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' ALA . 25.9 mt -72.91 -62.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.636 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 2.6 tp -41.09 -51.7 7.49 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 -21.12 33.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' ILE . 2.4 m-20 -82.06 -35.63 28.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.8 ptp -89.25 -36.03 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 tp -68.51 -48.91 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -44.03 112.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -121.53 102.56 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -47.04 -50.97 18.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -56.15 146.77 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -93.66 118.66 31.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.51 145.56 31.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.532 0.682 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 87.15 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.3 t -88.93 152.91 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.49 76.75 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.97 32.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 p -150.07 152.43 34.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.3 p -145.11 164.77 30.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -118.5 130.35 55.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 t -124.24 -51.59 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.57 164.12 24.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -127.91 150.92 49.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -164.09 125.17 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.8 124.62 8.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -142.05 158.7 43.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.344 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -106.9 122.86 47.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -162.3 150.43 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.72 159.78 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.07 144.51 3.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -98.52 140.75 32.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.565 HD13 ' CD1' ' A' ' 57' ' ' TRP . 10.5 mt -77.03 149.92 80.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.657 0.741 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 134.33 27.74 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.02 -59.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 23.8 tt0 -41.05 -52.26 3.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.3 m -70.49 -32.73 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG11 ' NE ' ' A' ' 23' ' ' ARG . 98.0 t -61.49 -52.31 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -39.27 -43.77 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.425 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 5.0 mp -58.39 -47.05 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.54 -53.88 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.467 ' NE ' HG11 ' A' ' 19' ' ' VAL . 37.4 mtm180 -48.28 -60.56 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -39.15 -41.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.657 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 67.5 t90 -74.54 -51.9 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.3 ttt -48.07 -22.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 20.1 t80 -70.46 -49.56 47.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.7 -36.86 82.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.657 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.1 m-70 -100.47 4.21 43.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 27' ' ' TYR . 5.4 ptm180 -36.19 -34.07 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.2 m-30 -55.45 -49.45 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 29' ' ' HIS . 0.5 OUTLIER -95.85 -47.1 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 71.27 51.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.529 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 91.7 m-85 -163.03 105.01 1.01 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.729 0.776 . . . . 0.0 110.931 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.473 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.76 166.52 27.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 38' ' ' GLU . 75.4 m -102.58 153.42 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -37.11 -29.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' SER . 25.5 mt-10 -80.62 -47.31 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -54.29 -54.05 45.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -52.15 -61.07 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -52.35 -31.44 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.9 ttp -70.42 -51.88 26.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.99 -41.24 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -48.92 -22.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -76.72 -41.73 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.84 -33.57 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -92.53 -21.29 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.97 38.13 8.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 14' ' ' LEU . 13.4 mt -107.92 -178.24 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.3 m -105.75 134.4 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 50' ' ' SER . 73.3 mt -34.91 -39.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.9 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' SER . 27.4 mt-30 -64.53 -40.9 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.7 mm -49.96 -67.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -55.51 -43.71 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 41.6 m-20 -54.23 -39.4 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.565 ' CD1' HD13 ' A' ' 14' ' ' LEU . 6.6 t90 -72.04 -31.11 65.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.402 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 10.7 m-85 -69.22 -31.32 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.6 -70.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -55.81 -42.9 76.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -58.71 -41.43 86.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.471 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 62.6 ttp85 -63.65 -4.35 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 38.7 mtm180 -90.62 -31.85 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.34 -43.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' A' ' 61' ' ' ALA . 3.3 mt -60.27 -62.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.564 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 7.0 tp -44.86 -55.71 10.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.73 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.564 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.8 Cg_endo -69.74 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.18 -33.1 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.6 ptp -75.5 -24.06 56.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.8 mp -67.67 -46.38 72.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -50.57 161.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.48 126.59 10.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 74' ' ' ARG . 5.5 tpt180 -148.85 163.18 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' ARG . 15.9 ttm180 -37.81 -65.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.1 p30 -51.49 159.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -101.93 105.39 41.57 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.04 32.07 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -54.66 148.53 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.42 69.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 135.29 30.18 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.5 t -107.18 154.12 21.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 t -40.02 -53.44 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.518 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -115.46 88.33 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -147.16 171.3 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.35 137.98 5.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 m -163.11 148.66 11.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p -170.62 162.1 7.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.85 130.69 1.43 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -151.12 173.09 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -153.74 119.36 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -143.29 159.61 42.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -127.78 171.07 12.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.57 171.18 21.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -76.21 175.41 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 HD13 ' CG ' ' A' ' 57' ' ' TRP . 5.7 mt -108.52 151.49 41.63 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.0 Cg_endo -69.75 133.85 26.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.388 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -35.12 -64.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 12.6 tt0 -37.02 -53.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 67.7 m -68.13 -35.06 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' ALA . 87.9 t -59.21 -50.99 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -41.29 -44.5 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 5.0 mp -58.98 -44.72 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.491 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 73.7 mt -71.5 -55.83 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' ASP . 39.2 mtp180 -48.8 -59.27 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 8.8 t0 -37.65 -46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.736 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 24.6 t90 -73.9 -39.59 63.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.483 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 4.2 ttm -60.83 -26.31 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -71.16 -53.73 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -60.92 -40.99 95.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.736 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 83.1 m-70 -96.51 3.26 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' CA ' ' O ' ' A' ' 26' ' ' MET . 24.3 ptt180 -39.68 -37.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' ARG . 23.3 m-85 -34.82 -40.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -120.46 -27.56 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 58.78 50.5 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 38.4 m-85 -157.8 105.03 1.77 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.523 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.9 Cg_endo -69.73 171.93 13.54 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.3 t -110.41 153.1 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . 66.6 mt-10 -35.86 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -80.12 -49.06 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.4 mm-40 -54.55 -49.96 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -57.33 -64.11 1.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.0 tp60 -44.8 -27.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -79.43 -49.45 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.51 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.69 -28.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.68 -38.78 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -77.54 -35.69 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 70.9 p -94.18 -20.81 19.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' SER . 11.9 m-80 69.45 35.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.436 ' CD1' HD22 ' A' ' 14' ' ' LEU . 12.9 mt -111.23 -174.81 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' LEU . 18.0 m -112.43 135.89 52.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 50' ' ' SER . 7.6 mp -33.94 -42.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.465 HD12 ' ND2' ' A' ' 56' ' ' ASN . 47.6 tp -56.06 -52.17 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' SER . 22.9 mt-30 -68.21 -32.12 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.27 -66.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -54.24 -53.96 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' ND2' HD12 ' A' ' 52' ' ' LEU . 15.3 m-80 -47.38 -37.93 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.491 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 42.5 t90 -67.0 -52.52 41.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.486 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 17.4 m-85 -47.0 -32.52 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 63.8 mt -66.71 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.68 -16.8 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -81.66 -51.88 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.474 ' O ' ' CB ' ' A' ' 66' ' ' LEU . 2.6 ptt85 -69.38 -1.13 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.414 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 11.6 mtp-105 -91.52 -27.4 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.34 -6.85 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.43 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 43.1 mt -110.48 -40.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.695 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.2 tp -50.79 -47.45 85.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.695 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.83 -18.37 36.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 2.2 m-20 -81.06 -50.03 10.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.408 ' CE ' ' SD ' ' A' ' 26' ' ' MET . 18.6 ptp -60.13 -46.61 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 71' ' ' GLN . 4.0 mm? -55.68 -25.48 39.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 47.7 mm-40 -39.39 159.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 73' ' ' ARG . 16.4 mm-40 74.58 54.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 72' ' ' GLN . 80.7 mtt85 -34.96 150.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ARG . 14.0 ttm180 -37.08 136.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -115.67 -57.08 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.56 139.65 21.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 124.03 10.69 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' GLY . 70.2 p -107.35 151.65 25.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -35.66 145.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 0.0 112.345 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.3 p -166.06 172.26 11.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 m -99.36 145.38 27.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.534 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -48.67 111.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -144.82 153.34 41.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.06 132.81 1.58 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -170.47 148.6 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -101.28 99.64 10.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.57 -158.07 34.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' LYS . 13.7 tptt -130.7 134.54 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LYS . 33.4 tttm -37.34 116.85 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -105.05 -45.93 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -125.24 -176.27 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.25 -90.36 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -79.34 174.57 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.559 HD12 ' CD1' ' A' ' 57' ' ' TRP . 1.0 OUTLIER -85.56 152.64 57.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 135.95 31.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.349 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -36.74 -64.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.06 -51.64 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 56.0 m -72.0 -35.63 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.484 ' N ' ' O ' ' A' ' 16' ' ' ALA . 59.9 t -59.86 -52.76 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -38.82 -38.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 4.1 mp -64.12 -43.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' VAL . 95.8 mt -74.97 -48.47 24.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -53.95 -59.88 4.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -39.78 -46.95 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.752 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 19.6 t90 -71.84 -37.3 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -60.57 -30.4 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.79 -49.85 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -60.5 -47.1 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.752 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 68.1 m-70 -93.56 3.54 55.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.4 ptt180 -40.4 -33.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ARG . 22.2 m-85 -37.98 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.438 ' CB ' ' HG3' ' A' ' 62' ' ' ARG . . . 59.5 51.57 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -159.83 104.98 1.44 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.473 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.6 Cg_endo -69.76 167.0 25.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.2 t -105.2 151.92 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' SER . 47.3 mm-40 -34.88 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' SER . 9.2 mt-10 -78.21 -48.03 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 40.7 mm-40 -54.45 -52.64 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 18.8 mttt -55.0 -66.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.472 ' NE2' HD22 ' A' ' 51' ' ' LEU . 7.0 tp60 -44.33 -27.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ttp -79.02 -49.35 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.62 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t -51.66 -22.71 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -78.48 -40.57 35.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -76.8 -41.02 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.3 p -85.31 -26.92 26.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t30 74.47 34.67 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' CD1' HD22 ' A' ' 14' ' ' LEU . 11.3 mt -106.59 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -107.1 141.34 38.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.472 HD22 ' NE2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -45.15 -26.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 19.0 tp -74.12 -42.48 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.86 -33.18 65.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -57.01 -69.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -52.77 -46.11 67.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 52.3 m-20 -51.88 -48.42 64.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.559 ' CD1' HD12 ' A' ' 14' ' ' LEU . 47.0 t90 -57.74 -47.99 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 18.1 m-85 -52.57 -31.83 37.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -55.37 -72.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -69.65 -19.46 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.475 ' HB1' ' CD1' ' A' ' 65' ' ' ILE . . . -80.35 -27.19 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.438 ' HG3' ' CB ' ' A' ' 33' ' ' ALA . 43.1 ttp85 -79.32 -14.45 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -105.3 -4.93 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -125.77 -43.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.475 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 10.0 mt -82.95 -66.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.588 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 15.2 tp -34.93 -53.72 1.06 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -31.05 21.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' ILE . 14.5 t70 -72.44 -28.69 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.454 ' HE2' ' CG2' ' A' ' 65' ' ' ILE . 17.5 ptp -91.57 -31.71 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 HD13 ' CD1' ' A' ' 66' ' ' LEU . 10.8 mt -63.93 -45.72 87.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.42 ' C ' ' OE1' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -58.74 -33.84 70.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -63.08 143.85 57.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -52.64 173.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -138.93 157.18 46.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -129.69 46.73 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.5 122.19 22.64 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.595 0.712 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -178.15 2.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.1 t -62.71 118.07 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.71 -72.44 0.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 172.15 13.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.301 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 m -107.57 144.54 34.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.4 p -163.47 148.97 11.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.2 154.98 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -110.02 -52.55 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.14 -165.14 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.5 p -121.96 174.64 6.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.387 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -147.77 158.88 44.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.6 133.35 2.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -149.89 128.2 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.8 18.11 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.48 119.75 34.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -68.6 154.77 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.29 134.02 2.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -43.64 146.53 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.546 HD12 ' CD1' ' A' ' 57' ' ' TRP . 7.0 mt -77.39 151.13 80.58 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.54 40.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.602 2.202 . . . . 0.0 112.353 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -42.49 -63.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.24 -47.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 37.7 m -73.93 -47.08 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.796 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.7 t -48.42 -49.89 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -38.3 -40.0 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -65.11 -47.95 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.8 mt -69.06 -54.27 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 69.1 mtt180 -49.31 -58.12 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -38.79 -48.29 1.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.747 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 18.1 t90 -75.4 -36.84 60.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.497 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -64.23 -27.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.96 -57.17 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.747 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 88.9 m-70 -91.93 3.43 55.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' CA ' ' O ' ' A' ' 26' ' ' MET . 26.0 ptt-85 -40.69 -40.15 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 15.5 m-85 -37.66 -41.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 1.3 ptpt -112.83 -31.02 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.55 31.61 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 46.4 m-85 -133.94 92.01 23.24 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.689 0.757 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.437 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.74 166.11 28.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.3 t -104.47 151.69 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.7 mt-10 -35.54 -31.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.6 mp0 -76.39 -50.52 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 62.1 mm-40 -54.59 -52.01 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 mttt -54.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.5 ' OE1' ' CD1' ' A' ' 51' ' ' LEU . 52.0 tp60 -45.66 -41.77 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ttp -59.73 -52.04 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.2 mt -64.04 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -53.93 -23.69 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.75 -36.81 62.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -82.01 -41.04 21.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.8 p -85.66 -12.86 50.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.95 32.57 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 20.6 mt -99.49 -175.39 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLN . 56.6 m -112.43 136.68 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.5 ' CD1' ' OE1' ' A' ' 41' ' ' GLN . 49.6 mt -35.14 -47.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.447 HD11 ' ND2' ' A' ' 56' ' ' ASN . 22.1 tp -55.98 -47.82 76.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.6 mt-30 -65.69 -39.03 90.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 47.2 mm -56.14 -69.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -54.68 -46.06 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.447 ' ND2' HD11 ' A' ' 52' ' ' LEU . 51.2 m-20 -51.84 -44.02 63.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.546 ' CD1' HD12 ' A' ' 14' ' ' LEU . 28.3 t90 -66.07 -42.39 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.504 ' O ' ' N ' ' A' ' 62' ' ' ARG . 10.6 m-85 -55.86 -41.27 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 75.4 mt -52.05 -72.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.07 -30.68 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -74.58 -21.9 59.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' A' ' 58' ' ' PHE . 12.3 ttp-105 -81.12 -15.05 57.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -107.56 -2.16 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.4 ttt-85 -126.74 -43.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' C ' ' HD2' ' A' ' 67' ' ' PRO . 3.0 mt -84.85 -61.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.635 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 18.4 tp -40.49 -51.17 6.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 -21.38 33.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.2 t70 -83.63 -36.02 24.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 12.1 ptp -70.67 -45.6 64.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 2.0 mp -46.59 -54.52 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -79.74 76.59 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -129.42 146.16 51.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.422 ' C ' ' HD3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -62.94 140.52 58.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.9 mtm-85 -77.94 84.47 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -68.65 168.91 12.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -125.37 88.84 53.56 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 121.26 7.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.2 p -70.68 124.98 25.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -131.91 145.59 17.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 178.57 4.47 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -119.88 -43.4 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.8 t -160.67 156.18 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -119.44 158.46 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 4' ' ' GLY . 7.0 m -157.35 170.34 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.03 63.85 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 m -55.76 -42.76 75.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -167.34 168.96 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.07 80.02 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -150.05 112.58 4.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -120.41 64.38 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -114.49 174.6 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.63 144.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.49 168.84 31.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -109.87 168.44 9.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD12 ' CG ' ' A' ' 57' ' ' TRP . 8.2 mt -117.72 151.82 49.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.06 -64.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' ALA . 5.1 pt-20 -35.0 -54.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 12.9 m -67.52 -40.69 85.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' LEU . 71.2 t -56.1 -53.08 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -37.96 -42.84 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -63.19 -43.23 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 19' ' ' VAL . 93.7 mt -74.53 -57.28 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 32.3 mtp180 -45.56 -50.48 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -45.71 -43.36 12.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 43.9 t90 -76.38 -40.03 52.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.464 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.5 ttt -60.87 -24.09 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CE2' ' HB2' ' A' ' 69' ' ' MET . 1.9 t80 -76.13 -55.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -60.41 -36.79 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 89.0 m-70 -100.81 4.49 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 27' ' ' TYR . 2.6 ptp85 -35.94 -35.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.7 m-85 -40.77 -46.5 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.39 -29.85 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.428 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.09 37.85 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.418 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 20.1 m-85 -134.99 93.8 16.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.879 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.08 66.22 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' GLU . 49.7 m -87.96 155.22 19.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 33.4 mt-10 -36.63 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -79.99 -49.5 11.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' SER . 72.9 mm-40 -53.02 -51.1 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.15 -66.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 41' ' ' GLN . 2.7 tp60 -44.23 -34.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.6 ttp -67.68 -49.8 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.55 -23.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.71 -45.25 53.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -75.45 -35.57 60.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 p -91.8 -16.6 26.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.3 m-20 61.42 36.69 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD23 ' CD2' ' A' ' 14' ' ' LEU . 18.2 mt -105.58 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLN . 9.0 m -110.76 135.94 50.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 50' ' ' SER . 75.5 mt -35.32 -39.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.01 -46.22 88.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.8 mt-30 -65.44 -41.12 93.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.8 mm -51.68 -69.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -55.69 -49.72 72.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 65.0 m-20 -47.96 -37.05 13.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.49 ' CZ2' HD13 ' A' ' 65' ' ' ILE . 50.9 t90 -72.37 -42.06 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -57.91 -36.32 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.16 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -60.85 -36.81 80.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -63.25 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.46 ' CG ' ' HE2' ' A' ' 26' ' ' MET . 13.4 mtp-105 -66.48 -1.58 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.97 -25.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -126.67 -43.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' ALA . 80.1 mt -69.86 -56.92 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.601 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 6.0 tp -47.83 -53.59 30.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.601 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.79 3.32 2.85 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -96.1 -54.92 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' MET . . . . . 0.567 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 20.1 ptp -68.93 -34.94 76.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' CD2' HD13 ' A' ' 66' ' ' LEU . 2.5 mm? -57.72 -53.68 55.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 72' ' ' GLN . 77.6 mt-30 -35.96 134.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 71' ' ' GLN . 32.2 mt-30 -34.92 133.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -117.18 172.48 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -46.67 -58.1 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . 0.464 ' ND2' ' HD3' ' A' ' 77' ' ' PRO . 0.7 OUTLIER -160.78 157.6 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.74 94.34 12.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HD3' ' ND2' ' A' ' 75' ' ' ASN . 53.1 Cg_endo -69.81 110.63 2.61 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.322 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.6 t -95.86 159.28 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.7 84.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -178.16 2.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.1 m -148.76 172.59 14.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.9 m -168.11 172.64 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -160.03 136.92 9.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -164.98 174.81 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.5 102.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -170.89 130.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.911 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -139.98 137.34 34.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.13 98.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -166.07 108.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -171.68 150.88 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -164.35 140.37 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -101.64 145.32 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.36 149.28 7.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -112.5 143.35 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.5 HD11 ' CG ' ' A' ' 57' ' ' TRP . 3.8 mt -80.79 152.11 71.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.77 137.23 34.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -34.69 -65.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -34.97 -45.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 m -77.11 -36.87 55.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 16' ' ' ALA . 55.9 t -60.48 -52.63 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -38.18 -39.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.4 mp -65.6 -45.02 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.432 HD12 ' CE3' ' A' ' 57' ' ' TRP . 79.9 mt -73.09 -54.9 7.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 51.6 mtt180 -47.82 -58.51 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.81 -38.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.762 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 59.4 t90 -77.86 -49.23 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.8 ttm -52.38 -22.97 5.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.07 -62.16 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.28 -34.19 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . 0.762 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 77.9 m-70 -101.32 4.02 41.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' HIS . 3.0 ptm180 -36.21 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' HIS . 5.6 m-85 -47.21 -49.72 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 33' ' ' ALA . 9.9 ptpp? -105.56 -46.74 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' N ' ' HG3' ' A' ' 32' ' ' LYS . . . 72.73 52.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 53.4 m-85 -161.2 104.98 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.739 0.78 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 170.43 16.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.376 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.6 t -109.57 154.17 23.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' SER . 18.0 mt-10 -36.49 -29.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 36' ' ' SER . 18.6 mm-40 -80.82 -48.53 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.3 mm-40 -55.16 -53.53 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -52.5 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.2 tp60 -46.53 -35.23 5.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.2 ttp -69.5 -51.46 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.48 -44.57 95.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -47.91 -25.99 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -73.66 -40.11 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -79.09 -41.2 29.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.6 p -86.31 -18.53 31.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' SER . 3.4 m120 65.04 28.77 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.472 HD22 ' CD2' ' A' ' 14' ' ' LEU . 15.4 mt -97.69 -174.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.9 m -109.2 138.85 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 58.4 mt -38.99 -39.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.99 -48.28 79.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.74 -39.94 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -53.9 -68.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -53.74 -41.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' ' CD1' ' A' ' 59' ' ' ILE . 68.3 m-20 -54.93 -55.24 32.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . 0.5 ' CG ' HD11 ' A' ' 14' ' ' LEU . 57.2 t90 -51.52 -42.31 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 11.7 m-85 -57.86 -35.43 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.445 ' CD1' ' HA ' ' A' ' 56' ' ' ASN . 76.4 mt -50.94 -71.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.76 -41.91 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.478 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . . . -56.32 -33.59 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.458 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 53.7 ttt-85 -78.18 -7.72 57.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -105.2 -9.48 17.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -127.07 -43.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.478 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 17.8 mt -78.8 -59.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.647 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 37.5 tp -45.08 -50.32 27.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.957 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.647 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.75 -14.54 36.26 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.86 -20.01 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 15.4 ptp -95.54 -40.44 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -60.08 -41.74 93.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 53.36 33.65 16.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -85.89 -48.99 8.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -141.37 148.31 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.79 142.05 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -52.74 138.22 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -124.27 148.48 58.07 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.603 0.715 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.3 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -88.13 129.15 35.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.4 ' N ' ' HD2' ' A' ' 80' ' ' PRO . . . -74.43 -63.32 2.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.4 ' HD2' ' N ' ' A' ' 79' ' ' GLY . 53.6 Cg_endo -69.82 86.78 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.4 p -118.92 -49.4 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -65.29 137.2 57.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.75 HD22 ' CD2' ' A' ' 49' ' ' LEU . 10.8 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.1 Cg_endo -69.72 130.57 19.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.748 2.299 . . . . 0.0 112.377 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.62 -66.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.8 tp10 -34.9 -43.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 m -75.86 -47.45 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.526 HG12 ' HE ' ' A' ' 23' ' ' ARG . 95.4 t -48.97 -46.98 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -39.42 -42.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.0 mp -60.14 -45.12 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 HD13 ' A' ' 43' ' ' LEU . 73.2 mt -71.17 -50.71 30.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HE ' HG12 ' A' ' 19' ' ' VAL . 49.0 mtm180 -54.0 -60.86 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' ARG . 11.6 t70 -36.68 -40.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.548 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 42.1 t90 -79.4 -42.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.8 ttt -58.42 -24.73 60.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -71.6 -64.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -53.13 -35.05 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.548 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 55.9 m80 -99.66 3.3 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.6 ptt180 -37.06 -33.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 49.7 m-85 -40.36 -48.48 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -116.76 -23.66 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.45 35.3 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CE2' ' NH2' ' A' ' 62' ' ' ARG . 48.6 m-85 -134.99 96.12 14.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 167.54 24.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.325 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' GLU . 23.0 m -106.82 154.11 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' SER . 26.0 mt-10 -35.88 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.1 mp0 -76.6 -50.9 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.7 mm-40 -55.41 -51.19 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 16.2 mttt -56.55 -61.2 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.766 ' OE1' HD11 ' A' ' 51' ' ' LEU . 10.3 tp60 -48.98 -33.31 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ttp -68.93 -51.28 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.484 HD13 HD23 ' A' ' 22' ' ' LEU . 5.2 mt -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -50.77 -24.83 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -74.77 -34.49 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -84.77 -40.16 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -83.65 -26.54 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.0 t30 73.13 37.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.75 ' CD2' HD22 ' A' ' 14' ' ' LEU . 11.6 mt -109.76 -174.9 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' GLN . 21.4 m -109.57 133.94 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.766 HD11 ' OE1' ' A' ' 41' ' ' GLN . 48.3 mt -34.25 -42.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 23.4 tp -59.49 -47.78 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' SER . 28.7 mt-30 -65.55 -41.07 93.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 49' ' ' LEU . 50.3 mm -50.42 -68.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -54.44 -44.85 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 46.2 m-20 -51.52 -47.47 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.443 ' CZ2' ' CD1' ' A' ' 65' ' ' ILE . 48.4 t90 -61.07 -41.47 96.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -57.75 -40.39 79.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.2 mt -49.1 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -64.16 -34.38 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -60.57 -34.35 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' CE2' ' A' ' 34' ' ' TYR . 12.1 mtp-105 -74.74 -0.5 18.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -103.5 -18.59 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -125.35 -43.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.964 HD12 ' HB1' ' A' ' 61' ' ' ALA . 60.3 mt -76.35 -65.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.636 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.4 tp -40.37 -52.23 5.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.72 -21.49 33.62 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.352 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ILE . 1.2 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.657 HD22 HD13 ' A' ' 49' ' ' LEU . 8.7 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 121.583 0.706 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.79 133.79 26.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.82 -65.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 21' ' ' ILE . 20.8 tt0 -35.95 -46.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.463 ' HA ' HD13 ' A' ' 21' ' ' ILE . 73.3 m -73.58 -42.24 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' LEU . 84.1 t -53.58 -53.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -39.1 -38.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 18' ' ' SER . 3.7 mp -64.76 -44.22 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.187 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.486 ' CD2' HD13 ' A' ' 43' ' ' LEU . 75.6 mt -73.58 -52.82 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -49.88 -57.28 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -39.42 -49.76 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.551 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 31.0 t90 -71.32 -41.22 70.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.9 ttt -60.62 -24.18 65.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -72.47 -51.83 18.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -63.37 -41.67 98.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.551 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 46.5 m80 -96.29 3.68 52.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' CA ' ' O ' ' A' ' 26' ' ' MET . 33.7 ptt-85 -36.73 -38.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 25.0 m-85 -35.21 -44.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' CG ' ' H ' ' A' ' 34' ' ' TYR . 2.1 ptpt -118.04 -23.05 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.23 31.68 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.409 ' H ' ' CG ' ' A' ' 32' ' ' LYS . 22.6 m-85 -134.99 93.98 16.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.6 Cg_endo -69.81 172.09 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' GLU . 83.5 p -107.97 154.01 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.0 tt0 -36.3 -31.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.7 mp0 -74.54 -51.73 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' SER . 71.2 mm-40 -54.47 -53.87 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.55 -64.14 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.724 ' HA ' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.88 -41.13 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.0 ttp -63.46 -51.46 65.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 22' ' ' LEU . 12.9 mt -60.96 -46.56 90.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.5 p -46.73 -31.09 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.2 -38.44 81.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -82.05 -35.64 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.8 p -88.19 -15.15 36.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' SER . 90.1 m-20 62.43 36.82 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.657 HD13 HD22 ' A' ' 14' ' ' LEU . 19.5 mt -111.38 -179.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.7 m -103.82 135.5 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 ' HA ' ' A' ' 41' ' ' GLN . 97.2 mt -38.48 -34.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 tp -65.33 -47.09 77.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.6 mt-30 -67.41 -40.95 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -49.38 -69.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 t -51.28 -49.78 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.579 ' HA ' HD12 ' A' ' 59' ' ' ILE . 69.9 m-20 -44.44 -41.94 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.501 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 75.4 t90 -68.68 -39.28 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 12.9 m-85 -64.03 -30.61 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 56' ' ' ASN . 84.0 mt -61.27 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -29.62 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -66.92 -50.63 61.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.528 ' HG2' HD23 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.98 -1.72 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -103.87 -27.74 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.07 -43.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 61' ' ' ALA . 21.6 mt -69.11 -50.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.606 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.1 tp -49.32 -54.21 32.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.72 -5.0 15.13 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.499 HD22 HD22 ' A' ' 49' ' ' LEU . 2.0 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 134.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.64 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 21' ' ' ILE . 8.3 tt0 -35.72 -53.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.409 ' HA ' HD13 ' A' ' 21' ' ' ILE . 10.3 p -66.28 -39.08 89.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 97.4 t -56.94 -52.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -39.58 -41.57 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.9 mp -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 75.3 mt -70.84 -54.95 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.585 ' HG2' HG21 ' A' ' 65' ' ' ILE . 9.4 mtp-105 -48.75 -60.87 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 3.7 t70 -37.32 -46.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.552 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 32.5 t90 -72.91 -41.6 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.1 ttm -60.57 -25.67 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -68.62 -51.64 40.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -61.78 -46.08 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.552 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 39.1 m80 -92.02 3.4 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.3 ptt-85 -36.82 -41.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 3.1 m-85 -37.78 -46.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -104.51 -32.97 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.766 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . . . 57.96 49.76 11.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 47.5 m-85 -160.58 104.95 1.32 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.967 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.9 Cg_endo -69.69 173.66 10.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.732 2.288 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 38' ' ' GLU . 1.5 t -112.67 151.59 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 29.7 tt0 -34.34 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -76.41 -49.95 15.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.0 mm-40 -54.09 -53.25 55.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -54.81 -58.69 6.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.25 -32.16 15.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ttp -75.11 -52.66 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.92 -44.04 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -47.54 -24.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.15 -39.16 55.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HB2' HG21 ' A' ' 21' ' ' ILE . 11.8 mtpt -79.84 -39.61 30.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -87.91 -16.35 34.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.2 t30 64.87 29.35 12.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.5 mt -103.14 -175.81 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLN . 54.6 m -115.82 136.89 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.64 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.7 mp -33.71 -40.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.81 -49.94 73.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.4 mt-30 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 49' ' ' LEU . 48.9 mm -63.59 -68.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 -50.04 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.682 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.6 m-20 -48.97 -47.49 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.57 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 57.7 t90 -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.0 m-85 -52.95 -31.38 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 56' ' ' ASN . 65.4 mt -59.82 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -66.39 -23.57 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -80.09 -27.49 39.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.766 ' HE ' ' HB3' ' A' ' 33' ' ' ALA . 39.1 ttt-85 -79.24 -11.85 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.421 ' C ' ' HG3' ' A' ' 67' ' ' PRO . 18.9 ptp180 -104.95 -6.77 19.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 29.1 ttp180 -125.45 -43.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.585 HG21 ' HG2' ' A' ' 23' ' ' ARG . 3.0 mt -79.52 -62.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.639 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 17.0 tp -42.38 -52.4 10.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.3 Cg_endo -69.7 -17.63 37.74 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 4.2 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 49' ' ' LEU . 3.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.3 Cg_endo -69.71 133.77 26.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.0 -65.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.1 tm-20 -35.71 -57.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.0 m -59.46 -45.88 90.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.546 HG12 ' HG3' ' A' ' 23' ' ' ARG . 60.2 t -53.58 -51.25 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' VAL . 1.5 tmtp? -37.04 -35.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.72 -43.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' VAL . 78.1 mt -74.85 -45.76 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.546 ' HG3' HG12 ' A' ' 19' ' ' VAL . 17.1 mtm105 -57.13 -56.37 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.73 -38.88 4.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.597 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 39.3 t90 -76.37 -44.09 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.493 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.1 ttm -52.51 -30.39 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 3.0 t80 -68.32 -57.83 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -54.65 -48.88 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.597 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 9.0 m-70 -89.77 3.5 52.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' CA ' ' O ' ' A' ' 26' ' ' MET . 25.6 ptt180 -40.81 -33.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -38.47 -48.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -111.92 -17.65 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 50.63 51.15 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 50.0 m-85 -162.21 105.02 1.11 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 54.4 Cg_endo -69.72 171.67 14.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.396 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 53.2 m -109.1 151.58 26.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' SER . 3.5 mp0 -36.31 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 8.0 mm-40 -75.67 -48.42 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.4 mm-40 -57.45 -60.96 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -43.87 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.662 ' OE1' HD11 ' A' ' 51' ' ' LEU . 2.3 tp60 -53.7 -37.88 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 39' ' ' GLU . 9.5 tmm? -67.16 -52.81 36.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.71 -42.84 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.73 -27.25 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -71.99 -36.03 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -35.88 24.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 p -92.74 -15.88 26.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.9 m120 60.31 32.49 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 14' ' ' LEU . 14.8 mt -99.54 -175.59 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.9 m -107.61 136.24 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.662 HD11 ' OE1' ' A' ' 41' ' ' GLN . 60.0 mt -38.17 -35.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -66.46 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.2 mt-30 -64.72 -36.8 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 49' ' ' LEU . 47.9 mm -55.56 -67.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 t -55.03 -44.43 74.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -53.09 -51.33 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 51.8 t90 -55.33 -36.55 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.494 ' O ' ' NE ' ' A' ' 62' ' ' ARG . 12.2 m-85 -63.6 -19.97 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -71.4 -63.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -71.08 -28.47 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.95 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -70.57 -44.75 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 58' ' ' PHE . 13.2 mtm105 -68.24 -1.15 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 71.4 mtt180 -99.63 -28.38 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.45 -42.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.95 HD12 ' HB1' ' A' ' 61' ' ' ALA . 50.1 mt -69.45 -56.83 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 6.0 tp -46.51 -53.18 25.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.699 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.1 Cg_endo -69.82 -7.93 22.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 HD13 ' A' ' 49' ' ' LEU . 5.5 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.8 139.96 41.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.93 -64.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 21' ' ' ILE . 11.1 pt-20 -35.09 -51.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.539 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.3 t -69.49 -41.46 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ALA . 85.2 t -54.72 -52.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -39.89 -42.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -62.21 -46.46 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 54' ' ' ILE . 70.6 mt -70.84 -57.23 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -46.24 -52.39 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -44.15 -43.36 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.585 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 68.9 t90 -77.92 -49.51 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 2.8 ttt -54.33 -23.09 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -72.49 -62.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.585 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 60.8 m80 -101.71 3.4 39.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' CA ' ' O ' ' A' ' 26' ' ' MET . 14.1 ptt85 -38.02 -35.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -41.35 -44.88 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -114.87 -32.61 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.03 25.14 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 56.6 m-85 -129.03 88.66 50.91 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.11 19.7 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 4.3 t -104.93 149.59 25.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.3 mt-10 -34.51 -32.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.8 mp0 -73.51 -51.74 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' SER . 17.0 mt-10 -58.3 -51.62 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB3' HG21 ' A' ' 54' ' ' ILE . 10.8 mttt -53.31 -54.13 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -48.94 -39.94 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 40' ' ' LYS . 8.0 mt -71.14 -36.27 72.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -53.8 -24.32 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.43 -43.46 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -30.64 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 p -97.77 -17.45 19.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.5 t-20 63.38 31.62 15.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.525 HD11 ' OG ' ' A' ' 18' ' ' SER . 10.9 mt -104.35 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLN . 20.1 m -115.38 135.61 53.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.7 mp -33.61 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 56' ' ' ASN . 27.2 tp -56.92 -47.69 80.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 23.2 mt-30 -72.38 -34.4 67.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 40' ' ' LYS . 45.9 mm -56.39 -69.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.7 t -56.32 -45.9 80.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.422 HD21 HD11 ' A' ' 52' ' ' LEU . 57.7 m-20 -48.71 -44.75 38.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -63.24 -41.62 99.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 26' ' ' MET . 12.6 m-85 -58.53 -42.51 87.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.2 mt -50.85 -67.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.937 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -54.17 -34.09 59.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HG3' ' CE ' ' A' ' 26' ' ' MET . 9.8 mtp-105 -69.48 -0.61 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 43.9 mtp180 -103.5 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -126.29 -43.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.937 HD12 ' HB1' ' A' ' 61' ' ' ALA . 12.4 mt -70.69 -61.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 7.3 tp -44.63 -54.04 13.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.2 Cg_endo -69.81 -11.21 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.228 . . . . 0.0 112.316 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.815 HD22 HD22 ' A' ' 49' ' ' LEU . 6.0 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.578 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.78 138.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -33.01 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 21' ' ' ILE . 3.2 tp10 -34.14 -47.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.456 ' HA ' HD13 ' A' ' 21' ' ' ILE . 9.4 m -74.88 -39.2 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 15' ' ' PRO . 20.7 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -38.11 -40.7 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.9 mp -60.7 -42.3 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 19' ' ' VAL . 85.2 mt -77.79 -46.68 20.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HD2' HG12 ' A' ' 19' ' ' VAL . 43.9 mtt-85 -55.18 -55.11 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -47.83 -39.67 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.608 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 41.6 t90 -76.57 -39.38 52.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -59.97 -25.98 65.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -69.98 -56.85 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -58.31 -38.7 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.608 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 59.0 m80 -98.44 3.77 48.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 ptt180 -36.6 -41.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -39.08 -65.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -84.55 -41.35 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.49 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 65.58 48.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -159.22 105.0 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.934 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' GLU . 17.1 t -109.46 154.06 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -38.61 -26.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mm-40 -83.56 -44.09 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.7 mm-40 -60.92 -55.24 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.2 mttt -49.81 -60.14 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.784 ' OE1' HD11 ' A' ' 51' ' ' LEU . 4.2 tp60 -50.14 -37.59 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.7 ttp -66.2 -53.23 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.79 -38.31 84.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.7 t -54.28 -26.69 30.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -75.24 -39.8 59.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.44 -27.24 46.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.482 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 81.3 p -100.79 -20.35 15.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' SER . 18.7 t30 66.98 36.03 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.815 HD22 HD22 ' A' ' 14' ' ' LEU . 12.7 mt -104.29 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 22.7 m -109.04 134.47 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.784 HD11 ' OE1' ' A' ' 41' ' ' GLN . 40.5 mt -35.15 -41.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 56' ' ' ASN . 19.2 tp -62.24 -45.87 91.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 36.3 mt-30 -66.92 -37.96 85.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 40' ' ' LYS . 43.2 mm -55.25 -67.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -55.75 -50.95 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.404 HD21 HD11 ' A' ' 52' ' ' LEU . 38.4 m-20 -46.94 -44.87 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.535 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 61.5 t90 -62.94 -57.79 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.0 m-85 -43.1 -37.88 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -53.5 -72.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -43.96 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -60.79 -24.26 65.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.489 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 59.8 ttt-85 -79.2 -7.77 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -103.96 -11.76 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 11.5 mtp-105 -124.91 -42.77 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' A' ' 61' ' ' ALA . 2.7 mt -77.71 -63.66 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.619 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.4 tp -39.84 -52.92 4.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 2.2 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 49' ' ' LEU . 17.6 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.651 0.739 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.5 Cg_endo -69.77 145.59 57.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.7 -61.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 14.3 pt-20 -36.21 -51.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -68.17 -49.27 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 15' ' ' PRO . 82.5 t -46.73 -46.82 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -40.26 -43.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 47' ' ' THR . 4.2 mp -61.97 -44.24 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.494 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 96.8 mt -71.82 -58.05 3.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 26.5 mtp180 -46.52 -55.19 7.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -40.4 -42.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.634 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 33.5 t90 -78.5 -42.38 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.708 ' HE2' ' HA ' ' A' ' 62' ' ' ARG . 3.4 ttt -57.22 -20.22 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -77.33 -52.06 9.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -62.24 -46.39 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.634 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 17.3 m80 -92.12 3.64 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CA ' ' O ' ' A' ' 26' ' ' MET . 17.6 ptt85 -36.77 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' HIS . 20.6 m-85 -43.49 -45.63 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -112.65 -27.16 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.15 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 47.0 m-85 -131.03 91.44 36.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.675 0.75 . . . . 0.0 110.969 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.66 33.74 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' GLU . 40.8 t -102.83 150.46 23.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 20.4 mt-10 -35.66 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mt-10 -76.02 -49.18 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.9 mt-10 -56.96 -54.94 40.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.0 mttt -50.56 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.531 ' HB2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.87 -47.05 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 ttp -55.16 -41.72 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 40' ' ' LYS . 6.2 mt -75.04 -38.12 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -50.95 -28.9 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -74.12 -35.14 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -32.57 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 80.4 p -93.21 -12.27 30.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 62.03 30.46 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 14' ' ' LEU . 19.5 mt -103.2 -176.19 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' LEU . 19.4 m -105.39 133.95 49.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' A' ' 41' ' ' GLN . 12.2 mt -35.43 -38.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.58 -54.93 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -57.48 -31.77 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 40' ' ' LYS . 21.3 mm -65.16 -62.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -52.24 -54.19 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.513 ' HA ' HD12 ' A' ' 59' ' ' ILE . 6.9 m120 -49.88 -57.5 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.494 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 56.9 t90 -43.49 -52.34 6.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 62' ' ' ARG . 9.9 m-85 -50.63 -40.59 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 56' ' ' ASN . 66.3 mt -48.33 -72.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 m120 -63.42 -40.06 96.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.86 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -63.73 -23.82 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.708 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 52.1 ttt-85 -79.48 -14.76 58.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ptp180 -106.27 -3.61 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 48.5 ttp180 -126.35 -43.14 1.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.86 HD12 ' HB1' ' A' ' 61' ' ' ALA . 7.7 mt -82.41 -61.74 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.666 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.5 tp -42.52 -50.43 12.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.76 -19.57 35.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 25.6 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD22 HD13 ' A' ' 49' ' ' LEU . 3.8 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 138.96 39.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.49 -63.24 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 21' ' ' ILE . 27.8 tt0 -36.13 -55.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.574 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.8 t -66.39 -39.78 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.16 -53.7 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -39.61 -40.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.6 mp -64.18 -44.35 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.4 mt -74.53 -56.66 4.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -44.94 -57.17 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -41.47 -48.89 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.549 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 19.5 t90 -71.81 -36.94 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -63.87 -26.01 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -73.12 -53.26 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -63.78 -35.21 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.549 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 60.5 m80 -101.93 3.64 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.6 ptt-85 -40.59 -28.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.0 m-30 -42.03 -53.78 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -102.8 -30.09 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 61.16 47.13 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 56.5 m-85 -160.71 104.97 1.3 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.674 0.75 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.76 166.29 28.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 43.8 t -99.98 151.75 20.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -37.1 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -83.31 -46.35 12.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.2 mm-40 -55.44 -51.0 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 43' ' ' LEU . 18.5 mttt -54.37 -65.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.518 ' OE1' HD11 ' A' ' 51' ' ' LEU . 6.7 tp60 -42.1 -38.22 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 ttp -64.59 -50.51 66.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 40' ' ' LYS . 5.1 mt -64.16 -44.55 91.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 t -46.66 -21.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.5 -41.24 40.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -78.92 -29.65 44.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.1 p -95.18 -29.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 73.38 35.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD13 HD22 ' A' ' 14' ' ' LEU . 8.0 mt -106.13 -174.88 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 5.0 m -107.65 134.89 49.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.518 HD11 ' OE1' ' A' ' 41' ' ' GLN . 91.5 mt -36.68 -37.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.412 HD11 HD21 ' A' ' 56' ' ' ASN . 40.6 tp -65.14 -45.66 84.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.7 mt-30 -68.27 -33.77 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.41 -68.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 t -56.26 -43.48 78.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.412 HD21 HD11 ' A' ' 52' ' ' LEU . 66.7 m-20 -55.1 -41.9 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.454 ' CD1' HD12 ' A' ' 14' ' ' LEU . 16.1 t90 -66.47 -43.06 86.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.1 m-85 -53.52 -36.79 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.39 -63.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -66.15 -29.52 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.644 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -79.13 -24.2 43.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.507 ' HG3' HD22 ' A' ' 66' ' ' LEU . 61.4 ttt-85 -77.58 -12.81 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -106.35 -4.71 19.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 23.4 ttp180 -125.96 -44.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.644 HD12 ' HB1' ' A' ' 61' ' ' ALA . 25.4 mt -84.02 -66.07 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.588 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 8.7 tp -33.53 -54.51 0.73 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -30.43 22.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ILE . 15.4 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' ' 57' ' ' TRP . 7.5 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.77 134.53 28.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -37.23 -61.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' SER . 10.3 pt-20 -38.95 -41.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 54.4 p -80.26 -44.96 18.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.549 HG12 ' HE ' ' A' ' 23' ' ' ARG . 69.5 t -52.56 -50.06 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -39.66 -43.08 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -59.48 -46.32 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 84.3 mt -71.02 -52.05 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HE ' HG12 ' A' ' 19' ' ' VAL . 51.1 mtm180 -51.87 -62.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 6.9 t70 -37.74 -38.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.587 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 52.4 t90 -79.16 -47.84 15.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.4 ttm -56.2 -23.39 35.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -70.74 -50.94 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.28 -35.22 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 55.2 m80 -99.7 3.87 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' MET . 28.6 ptt180 -36.47 -40.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -39.62 -53.13 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -98.55 -36.79 9.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.46 49.07 5.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.409 ' OH ' ' NE ' ' A' ' 62' ' ' ARG . 43.7 m-85 -158.79 104.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.565 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 54.2 Cg_endo -69.75 166.01 29.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' GLU . 71.0 m -103.12 151.59 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' SER . 5.9 tt0 -35.41 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' SER . 21.0 mt-10 -79.29 -48.47 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.6 mm-40 -52.31 -54.41 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -53.91 -60.17 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.698 ' OE1' HD11 ' A' ' 51' ' ' LEU . 12.6 tp60 -52.44 -26.6 13.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.6 ttp -77.25 -51.07 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.65 -45.14 91.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 p -47.11 -26.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -76.94 -41.35 43.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -82.72 -17.92 42.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.59 38.55 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 HD22 ' A' ' 14' ' ' LEU . 11.1 mt -111.58 -176.27 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 p -108.4 143.02 37.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.698 HD11 ' OE1' ' A' ' 41' ' ' GLN . 92.4 mt -41.21 -38.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.78 -51.03 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.52 -38.03 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.8 mm -53.36 -68.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.71 -40.66 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.419 ' HA ' HD21 ' A' ' 56' ' ' ASN . 2.2 m120 -53.36 -37.67 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.516 ' CD1' HD12 ' A' ' 14' ' ' LEU . 28.7 t90 -72.08 -33.74 68.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 14.9 m-85 -63.56 -27.28 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.52 -64.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -32.91 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.877 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -67.55 -57.27 6.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.656 ' HG3' HD22 ' A' ' 66' ' ' LEU . 59.4 ttp85 -57.78 -9.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -86.3 -34.73 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 -44.4 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.877 HD12 ' HB1' ' A' ' 61' ' ' ALA . 43.8 mt -58.96 -58.17 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.656 HD22 ' HG3' ' A' ' 62' ' ' ARG . 9.9 tp -48.34 -56.07 15.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.74 -1.83 9.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 49' ' ' LEU . 11.6 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.625 0.726 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 137.17 34.85 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.2 -63.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' ALA . 16.8 tt0 -35.11 -54.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -69.64 -49.53 52.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG1' ' HG3' ' A' ' 23' ' ' ARG . 69.4 t -45.64 -50.9 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -39.84 -41.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 mp -62.76 -48.1 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 58' ' ' PHE . 67.7 mt -70.04 -56.0 8.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 21.9 mtp180 -46.39 -57.07 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -39.98 -46.79 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.545 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 33.6 t90 -74.74 -42.25 58.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.492 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -60.24 -23.17 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -71.16 -51.83 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.47 -44.6 90.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.545 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 48.3 m80 -92.2 3.47 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.492 ' CA ' ' O ' ' A' ' 26' ' ' MET . 37.2 ptt180 -37.29 -39.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.5 t80 -38.07 -48.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -107.03 -16.03 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.619 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 38.3 28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 44.1 m-85 -134.68 92.0 20.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.533 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.77 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 29.0 t -103.97 151.35 23.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' SER . 9.1 tt0 -34.3 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 49.1 mt-10 -69.27 -54.05 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mm-40 -55.27 -60.5 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.589 ' HB3' HG21 ' A' ' 54' ' ' ILE . 15.0 mttt -45.36 -58.11 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.64 ' HG2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -48.37 -49.96 32.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 43' ' ' LEU . 7.4 tmm? -54.67 -52.46 62.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 40' ' ' LYS . 5.0 mt -61.06 -38.32 85.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -52.34 -21.71 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.57 -39.51 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -79.54 -39.77 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -84.69 -11.58 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.38 31.0 17.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.6 ' CD1' HD22 ' A' ' 14' ' ' LEU . 22.7 mt -100.33 -177.19 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' GLN . 85.6 p -104.57 133.92 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 ' HG2' ' A' ' 41' ' ' GLN . 12.2 mt -38.53 -31.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.0 tp -68.82 -45.45 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.5 mt-30 -68.84 -33.16 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 40' ' ' LYS . 33.3 mm -57.42 -67.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -52.4 -46.0 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -50.55 -51.45 47.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 54.3 t90 -60.36 -44.32 95.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 22' ' ' LEU . 11.1 m-85 -58.29 -42.41 86.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -51.85 -70.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -62.22 -46.86 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -59.94 -21.02 60.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -79.62 -17.5 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HA ' ' NH2' ' A' ' 62' ' ' ARG . 2.6 ptm180 -104.56 -2.64 24.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -126.0 -42.67 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ASP . 2.0 mt -83.23 -67.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.619 HD22 ' CB ' ' A' ' 33' ' ' ALA . 11.5 tp -34.19 -54.68 0.86 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.8 -28.48 24.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.9 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.553 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.599 0.714 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.57 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.8 143.45 50.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -45.76 -60.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 18' ' ' SER . 11.2 pt-20 -36.28 -42.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' HG22 ' A' ' 47' ' ' THR . 10.5 p -78.91 -39.44 34.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 15' ' ' PRO . 59.4 t -55.61 -52.38 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' VAL . 19.4 tttp -35.69 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.44 HG21 ' HB2' ' A' ' 46' ' ' LYS . 4.0 mp -66.91 -45.53 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 19' ' ' VAL . 98.3 mt -72.4 -48.12 43.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.479 ' HG3' HG12 ' A' ' 19' ' ' VAL . 12.9 mtm105 -54.91 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' ARG . 9.7 t0 -37.11 -44.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.595 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 18.4 t90 -75.15 -38.39 60.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -60.12 -28.83 68.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.3 -53.8 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.94 -40.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 56.6 m80 -97.89 3.56 49.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' MET . 15.9 ptt180 -38.47 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' HIS . 15.9 m-85 -40.07 -46.2 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -24.41 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 55.0 51.36 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' CZ ' ' HD3' ' A' ' 62' ' ' ARG . 47.3 m-85 -160.45 104.99 1.34 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.664 0.745 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.565 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.78 157.3 60.8 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 28.7 t -95.66 153.14 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' SER . 30.0 mt-10 -35.75 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 34.2 mm-40 -78.96 -48.4 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 70.2 mm-40 -52.71 -53.08 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 42' ' ' MET . 17.4 mttt -55.04 -63.31 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.445 ' CD ' HD11 ' A' ' 51' ' ' LEU . 5.1 tp-100 -44.15 -22.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' LYS . 12.8 ttp -88.15 -49.01 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.49 -38.67 90.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 p -55.99 -24.24 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.87 -40.29 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HB2' HG21 ' A' ' 21' ' ' ILE . 18.0 mttm -77.42 -40.72 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' SER . 62.6 p -82.25 -19.86 38.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 70.82 28.27 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.553 HD13 HD22 ' A' ' 14' ' ' LEU . 7.1 mt -105.67 -174.18 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.1 m -114.88 137.66 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.1 mp -34.73 -43.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.92 -45.6 78.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' SER . 33.8 mt-30 -73.82 -31.97 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -57.97 -69.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m -51.99 -51.25 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.463 ' HA ' HD12 ' A' ' 59' ' ' ILE . 64.2 m-20 -43.47 -38.76 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 68.0 t90 -68.96 -50.42 49.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 31.3 m-85 -52.5 -31.59 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 56' ' ' ASN . 66.2 mt -53.63 -72.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -68.88 -39.72 79.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.572 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -54.0 -48.7 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 40.3 ttt-85 -59.66 -9.28 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -103.76 -20.79 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -125.48 12.51 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.572 HD12 ' HB1' ' A' ' 61' ' ' ALA . 5.6 mt -132.91 -61.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.623 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.2 tp -46.52 -52.76 28.28 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -8.99 25.0 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.398 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 49' ' ' LEU . 17.0 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.79 133.46 25.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.05 -63.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.6 tt0 -36.26 -53.91 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -68.02 -48.1 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . 53.2 t -47.34 -53.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' VAL . 47.0 tttm -36.69 -41.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -63.9 -47.55 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 83.5 mt -69.95 -54.39 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 9.7 mtp-105 -49.15 -61.57 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -39.26 -42.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.552 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 20.6 t90 -76.65 -38.67 54.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.6 ttt -59.42 -23.85 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -71.64 -62.37 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -53.64 -35.68 61.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.552 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 57.9 m80 -101.63 3.41 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' MET . 16.1 ptt180 -41.58 -30.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.86 -44.21 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -114.26 -26.63 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.718 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . . . 57.01 48.35 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 47.9 m-85 -159.85 105.03 1.43 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.727 0.775 . . . . 0.0 110.946 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 34' ' ' TYR . 53.8 Cg_endo -69.78 172.64 12.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' GLU . 9.2 t -106.32 150.73 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -37.64 -27.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.9 mt-10 -80.59 -49.34 11.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' SER . 48.9 mt-10 -57.55 -53.1 61.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -49.7 -56.29 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' A' ' 51' ' ' LEU . 11.0 tp60 -53.35 -34.5 57.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.2 ttp -69.51 -53.37 19.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.61 -46.13 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.18 -26.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -72.52 -40.78 66.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -38.29 32.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.2 p -87.8 -19.72 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 86.3 m-20 63.37 38.54 10.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.581 ' CD2' HD22 ' A' ' 14' ' ' LEU . 15.3 mt -109.09 -175.95 2.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.0 m -107.38 134.17 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.582 HD11 ' OE1' ' A' ' 41' ' ' GLN . 97.9 mt -34.84 -41.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.76 -47.2 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.2 mt-30 -65.13 -38.56 91.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.417 HD12 HD21 ' A' ' 22' ' ' LEU . 44.7 mm -54.18 -68.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 t -54.12 -46.73 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.4 m120 -51.21 -53.08 38.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.554 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 62.5 t90 -54.0 -44.41 70.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -56.58 -33.12 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 56' ' ' ASN . 69.2 mt -54.56 -72.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -61.32 -44.4 97.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -52.98 -43.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.773 ' HG3' HD22 ' A' ' 66' ' ' LEU . 50.2 ttp85 -65.44 -2.25 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 75.8 mtt-85 -103.6 -27.8 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -125.46 -43.63 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.554 HD12 ' CZ2' ' A' ' 57' ' ' TRP . 5.8 mt -68.27 -57.75 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.773 HD22 ' HG3' ' A' ' 62' ' ' ARG . 12.1 tp -46.02 -54.02 18.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.79 -8.49 23.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.352 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 49' ' ' LEU . 2.6 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.593 0.711 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.554 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.4 Cg_endo -69.82 141.5 45.15 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -41.52 -61.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' O ' HD12 ' A' ' 21' ' ' ILE . 9.9 pt-20 -36.47 -45.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.56 ' HA ' HD13 ' A' ' 21' ' ' ILE . 4.1 t -76.09 -38.86 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 15' ' ' PRO . 58.6 t -54.86 -53.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -39.51 -43.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 18' ' ' SER . 4.6 mp -60.63 -49.68 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.05 -56.41 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.52 ' NE ' HG12 ' A' ' 19' ' ' VAL . 53.5 mtm180 -46.12 -59.66 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -37.07 -42.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.531 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 72.7 t90 -75.54 -54.97 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.501 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -48.54 -19.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -75.11 -49.58 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -66.73 -36.57 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.531 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.4 m-70 -101.67 4.03 40.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' CA ' ' O ' ' A' ' 26' ' ' MET . 34.5 ptt180 -36.48 -29.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.5 t80 -54.7 -48.8 72.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -38.32 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' HB3' ' NE ' ' A' ' 62' ' ' ARG . . . 57.43 37.39 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -134.99 89.74 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.88 58.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 37.3 t -86.15 153.92 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' SER . 6.6 mm-40 -33.1 -42.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.31 -50.94 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.1 mm-40 -53.73 -54.05 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HB2' HD22 ' A' ' 51' ' ' LEU . 12.8 mttt -56.01 -60.56 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' A' ' 51' ' ' LEU . 4.4 tp60 -51.73 -34.61 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.3 ttp -68.37 -52.82 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -48.1 -23.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.06 -36.31 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -32.85 18.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.8 p -89.19 -24.06 22.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 67.38 30.45 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 14' ' ' LEU . 20.4 mt -101.22 -177.25 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLN . 58.1 m -106.34 137.45 44.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.582 HD11 ' OE1' ' A' ' 41' ' ' GLN . 39.1 mt -38.31 -38.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 tp -64.39 -48.45 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' SER . 30.5 mt-30 -65.0 -41.24 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -49.27 -68.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -56.37 -45.96 80.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -49.01 -38.62 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -74.65 -41.63 59.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -57.42 -31.98 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.39 -69.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -55.92 -28.36 56.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.737 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -75.76 -42.29 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.469 ' NE ' ' HB3' ' A' ' 33' ' ' ALA . 57.5 ttt-85 -66.96 -0.9 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -103.35 -25.7 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -125.67 -43.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.737 HD12 ' HB1' ' A' ' 61' ' ' ALA . 8.4 mt -67.03 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 12.3 tp -45.71 -54.01 17.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.79 -9.02 25.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 14.8 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 49' ' ' LEU . 5.1 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.624 0.726 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.79 142.82 48.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.387 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.19 -67.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 21' ' ' ILE . 22.6 tt0 -35.13 -57.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.478 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.9 t -59.63 -47.18 86.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.4 t -52.33 -53.67 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -39.25 -40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.7 mp -62.7 -50.35 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CD2' HD13 ' A' ' 43' ' ' LEU . 91.9 mt -68.74 -54.83 13.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -46.76 -61.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -39.13 -43.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 34.6 t90 -74.48 -40.85 61.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -55.99 -29.32 60.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.71 -51.89 55.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -57.06 -49.33 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 8.3 m-70 -90.74 4.01 52.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 27.6 ptt-85 -36.33 -41.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 37.7 m-85 -43.88 -49.95 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 10.0 ptpt -98.2 -45.34 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.644 ' HB1' ' HG2' ' A' ' 62' ' ' ARG . . . 72.43 50.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.455 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 43.8 m-85 -161.15 104.96 1.24 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.636 0.731 . . . . 0.0 110.977 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.43 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.74 166.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.6 m -98.77 153.45 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -40.11 -25.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mp0 -86.22 -47.83 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -50.73 -50.42 55.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -56.78 -66.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -43.28 -28.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.3 ttp -77.11 -48.99 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' CD2' ' A' ' 22' ' ' LEU . 5.7 mt -65.38 -44.22 88.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -49.54 -23.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.96 -43.69 52.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -75.86 -41.02 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -81.71 -22.6 37.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 71.2 29.3 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 14' ' ' LEU . 9.8 mt -103.85 -174.61 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 6.0 m -114.41 134.84 54.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.639 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.9 mp -33.34 -40.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.73 -48.46 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.1 mt-30 -72.54 -31.16 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.37 -68.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 t -57.07 -48.76 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.804 ' HA ' HD12 ' A' ' 59' ' ' ILE . 3.4 m120 -49.08 -40.93 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.409 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 34.6 t90 -65.03 -45.67 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -54.5 -37.62 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 56' ' ' ASN . 55.1 mt -51.08 -64.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.94 -30.16 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.691 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -63.9 -38.92 92.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.644 ' HG2' ' HB1' ' A' ' 33' ' ' ALA . 15.6 mtp-105 -69.87 -0.16 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 46.4 mtt180 -103.36 -23.91 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -125.38 -43.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.691 HD12 ' HB1' ' A' ' 61' ' ' ALA . 25.9 mt -72.91 -62.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.649 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 2.6 tp -41.09 -51.7 7.49 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 -21.12 33.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' ILE . 2.4 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.652 HD12 ' CD1' ' A' ' 57' ' ' TRP . 10.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.657 0.741 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 134.33 27.74 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.02 -59.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 21' ' ' ILE . 23.8 tt0 -41.05 -52.26 3.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.575 ' HA ' HD13 ' A' ' 21' ' ' ILE . 67.3 m -70.49 -32.73 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 15' ' ' PRO . 98.0 t -61.49 -52.31 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -39.27 -43.77 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.0 mp -58.39 -47.05 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.54 -53.88 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -48.28 -60.56 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -39.15 -41.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.657 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 67.5 t90 -74.54 -51.9 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.3 ttt -48.07 -22.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 20.1 t80 -70.46 -49.56 47.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.7 -36.86 82.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.657 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.1 m-70 -100.47 4.21 43.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 27' ' ' TYR . 5.4 ptm180 -36.19 -34.07 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.2 m-30 -55.45 -49.45 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -95.85 -47.1 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 71.27 51.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.529 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 91.7 m-85 -163.03 105.01 1.01 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.729 0.776 . . . . 0.0 110.931 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.76 166.52 27.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 38' ' ' GLU . 75.4 m -102.58 153.42 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -37.11 -29.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' SER . 25.5 mt-10 -80.62 -47.31 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -54.29 -54.05 45.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -52.15 -61.07 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.722 ' OE1' HD11 ' A' ' 51' ' ' LEU . 17.2 tp60 -52.35 -31.44 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.9 ttp -70.42 -51.88 26.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.99 -41.24 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -48.92 -22.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -76.72 -41.73 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.84 -33.57 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -92.53 -21.29 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.97 38.13 8.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.587 ' CD2' HD22 ' A' ' 14' ' ' LEU . 13.4 mt -107.92 -178.24 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.3 m -105.75 134.4 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.722 HD11 ' OE1' ' A' ' 41' ' ' GLN . 73.3 mt -34.91 -39.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.9 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' SER . 27.4 mt-30 -64.53 -40.9 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.7 mm -49.96 -67.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -55.51 -43.71 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -54.23 -39.4 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.652 ' CD1' HD12 ' A' ' 14' ' ' LEU . 6.6 t90 -72.04 -31.11 65.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 10.7 m-85 -69.22 -31.32 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.6 -70.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -42.9 76.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.749 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -58.71 -41.43 86.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.544 ' HG3' HD22 ' A' ' 66' ' ' LEU . 62.6 ttp85 -63.65 -4.35 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 38.7 mtm180 -90.62 -31.85 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.34 -43.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.749 HD12 ' HB1' ' A' ' 61' ' ' ALA . 3.3 mt -60.27 -62.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.578 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 7.0 tp -44.86 -55.71 10.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.73 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.8 Cg_endo -69.74 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.575 HD12 ' CD1' ' A' ' 57' ' ' TRP . 5.7 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' VAL . 54.0 Cg_endo -69.75 133.85 26.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.388 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -35.12 -64.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 21' ' ' ILE . 12.6 tt0 -37.02 -53.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.563 ' HA ' HD13 ' A' ' 21' ' ' ILE . 67.7 m -68.13 -35.06 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' ALA . 87.9 t -59.21 -50.99 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -41.29 -44.5 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.59 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.0 mp -58.98 -44.72 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 73.7 mt -71.5 -55.83 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' ASP . 39.2 mtp180 -48.8 -59.27 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 8.8 t0 -37.65 -46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.544 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 24.6 t90 -73.9 -39.59 63.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.483 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 4.2 ttm -60.83 -26.31 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -71.16 -53.73 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -60.92 -40.99 95.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.544 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 58.9 m80 -96.51 3.26 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' CA ' ' O ' ' A' ' 26' ' ' MET . 24.3 ptt180 -39.68 -37.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' ARG . 23.3 m-85 -34.82 -40.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -120.46 -27.56 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 58.78 50.5 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 38.4 m-85 -157.8 105.03 1.77 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.9 Cg_endo -69.73 171.93 13.54 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.3 t -110.41 153.1 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . 66.6 mt-10 -35.86 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -80.12 -49.06 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.4 mm-40 -54.55 -49.96 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -57.33 -64.11 1.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -44.8 -27.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -79.43 -49.45 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.51 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.69 -28.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.68 -38.78 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -77.54 -35.69 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 18' ' ' SER . 70.9 p -94.18 -20.81 19.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 8.4 m120 69.45 35.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.575 ' CD1' HD22 ' A' ' 14' ' ' LEU . 12.9 mt -111.23 -174.81 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' LEU . 18.0 m -112.43 135.89 52.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.667 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.6 mp -33.94 -42.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.06 -52.17 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' SER . 22.9 mt-30 -68.21 -32.12 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.27 -66.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -54.24 -53.96 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.53 ' HA ' HD12 ' A' ' 59' ' ' ILE . 15.3 m-80 -47.38 -37.93 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.575 ' CD1' HD12 ' A' ' 14' ' ' LEU . 42.5 t90 -67.0 -52.52 41.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 17.4 m-85 -47.0 -32.52 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 56' ' ' ASN . 63.8 mt -66.71 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.68 -16.8 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.715 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -81.66 -51.88 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.509 ' HB2' HD22 ' A' ' 66' ' ' LEU . 2.6 ptt85 -69.38 -1.13 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 11.6 mtp-105 -91.52 -27.4 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.34 -6.85 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.715 HD12 ' HB1' ' A' ' 61' ' ' ALA . 43.1 mt -110.48 -40.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.713 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.2 tp -50.79 -47.45 85.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.83 -18.37 36.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 49' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.603 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.75 135.95 31.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.349 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -36.74 -64.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.06 -51.64 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' HD13 ' A' ' 21' ' ' ILE . 56.0 m -72.0 -35.63 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 15' ' ' PRO . 59.9 t -59.86 -52.76 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -38.82 -38.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 18' ' ' SER . 4.1 mp -64.12 -43.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' VAL . 95.8 mt -74.97 -48.47 24.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' HG21 ' A' ' 65' ' ' ILE . 44.1 mtm180 -53.95 -59.88 4.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -39.78 -46.95 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.576 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 19.6 t90 -71.84 -37.3 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -60.57 -30.4 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.79 -49.85 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -60.5 -47.1 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.576 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 50.6 m80 -93.56 3.54 55.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.4 ptt180 -40.4 -33.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ARG . 22.2 m-85 -37.98 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' CB ' ' HG3' ' A' ' 62' ' ' ARG . . . 59.5 51.57 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -159.83 104.98 1.44 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.76 167.0 25.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.2 t -105.2 151.92 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' SER . 47.3 mm-40 -34.88 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' SER . 9.2 mt-10 -78.21 -48.03 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 40.7 mm-40 -54.45 -52.64 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.461 ' HB2' HD13 ' A' ' 51' ' ' LEU . 18.8 mttt -55.0 -66.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.574 ' NE2' HD21 ' A' ' 51' ' ' LEU . 7.0 tp60 -44.33 -27.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ttp -79.02 -49.35 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.62 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t -51.66 -22.71 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -78.48 -40.57 35.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 21' ' ' ILE . 15.2 mtpt -76.8 -41.02 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 18' ' ' SER . 71.3 p -85.31 -26.92 26.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t30 74.47 34.67 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 14' ' ' LEU . 11.3 mt -106.59 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -107.1 141.34 38.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.574 HD21 ' NE2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -45.15 -26.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 19.0 tp -74.12 -42.48 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.86 -33.18 65.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -57.01 -69.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -52.77 -46.11 67.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 3.3 m120 -51.88 -48.42 64.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.463 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 47.0 t90 -57.74 -47.99 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 18.1 m-85 -52.57 -31.83 37.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -55.37 -72.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -69.65 -19.46 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.897 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -80.35 -27.19 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.436 ' HG3' ' CB ' ' A' ' 33' ' ' ALA . 43.1 ttp85 -79.32 -14.45 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -105.3 -4.93 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -125.77 -43.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 ' HB1' ' A' ' 61' ' ' ALA . 10.0 mt -82.95 -66.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 15.2 tp -34.93 -53.72 1.06 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -31.05 21.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' ILE . 14.5 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 49' ' ' LEU . 7.0 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.54 40.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.602 2.202 . . . . 0.0 112.353 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -42.49 -63.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.24 -47.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 37.7 m -73.93 -47.08 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.796 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.7 t -48.42 -49.89 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -38.3 -40.0 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -65.11 -47.95 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.546 HD23 HD13 ' A' ' 43' ' ' LEU . 70.8 mt -69.06 -54.27 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.785 ' HE ' HD13 ' A' ' 65' ' ' ILE . 69.1 mtt180 -49.31 -58.12 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -38.79 -48.29 1.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.546 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 18.1 t90 -75.4 -36.84 60.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.497 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -64.23 -27.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.96 -57.17 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.546 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 57.5 m80 -91.93 3.43 55.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' CA ' ' O ' ' A' ' 26' ' ' MET . 26.0 ptt-85 -40.69 -40.15 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 15.5 m-85 -37.66 -41.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 1.3 ptpt -112.83 -31.02 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.55 31.61 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 46.4 m-85 -133.94 92.01 23.24 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.689 0.757 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.455 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.74 166.11 28.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.3 t -104.47 151.69 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.7 mt-10 -35.54 -31.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.6 mp0 -76.39 -50.52 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 62.1 mm-40 -54.59 -52.01 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.0 mttt -54.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.78 ' OE1' HD11 ' A' ' 51' ' ' LEU . 52.0 tp60 -45.66 -41.77 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ttp -59.73 -52.04 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.546 HD13 HD23 ' A' ' 22' ' ' LEU . 11.2 mt -64.04 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -53.93 -23.69 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.75 -36.81 62.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -82.01 -41.04 21.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.8 p -85.66 -12.86 50.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.95 32.57 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.585 ' HB2' HD11 ' A' ' 54' ' ' ILE . 20.6 mt -99.49 -175.39 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLN . 56.6 m -112.43 136.68 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 41' ' ' GLN . 49.6 mt -35.14 -47.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.1 tp -55.98 -47.82 76.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.6 mt-30 -65.69 -39.03 90.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 49' ' ' LEU . 47.2 mm -56.14 -69.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -54.68 -46.06 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.495 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.6 m120 -51.84 -44.02 63.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.601 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 28.3 t90 -66.07 -42.39 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' O ' ' N ' ' A' ' 62' ' ' ARG . 10.6 m-85 -55.86 -41.27 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 56' ' ' ASN . 75.4 mt -52.05 -72.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.07 -30.68 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -74.58 -21.9 59.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 58' ' ' PHE . 12.3 ttp-105 -81.12 -15.05 57.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -107.56 -2.16 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 39.4 ttt-85 -126.74 -43.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.785 HD13 ' HE ' ' A' ' 23' ' ' ARG . 3.0 mt -84.85 -61.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.655 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 18.4 tp -40.49 -51.17 6.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 -21.38 33.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.2 t70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD22 HD22 ' A' ' 49' ' ' LEU . 8.2 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.06 -64.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 21' ' ' ILE . 5.1 pt-20 -35.0 -54.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 21' ' ' ILE . 12.9 m -67.52 -40.69 85.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' LEU . 71.2 t -56.1 -53.08 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -37.96 -42.84 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -63.19 -43.23 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 54' ' ' ILE . 93.7 mt -74.53 -57.28 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -45.56 -50.48 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -45.71 -43.36 12.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.551 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 43.9 t90 -76.38 -40.03 52.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' MET . . . . . 0.464 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.5 ttt -60.87 -24.09 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 1.9 t80 -76.13 -55.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -60.41 -36.79 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.551 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 60.0 m80 -100.81 4.49 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 27' ' ' TYR . 2.6 ptp85 -35.94 -35.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.7 m-85 -40.77 -46.5 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.39 -29.85 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.09 37.85 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.418 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 20.1 m-85 -134.99 93.8 16.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.879 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.08 66.22 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' GLU . 49.7 m -87.96 155.22 19.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 33.4 mt-10 -36.63 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -79.99 -49.5 11.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' SER . 72.9 mm-40 -53.02 -51.1 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.15 -66.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.487 ' CD ' HD21 ' A' ' 51' ' ' LEU . 2.7 tp60 -44.23 -34.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.6 ttp -67.68 -49.8 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.55 -23.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.71 -45.25 53.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -75.45 -35.57 60.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 p -91.8 -16.6 26.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.3 m-20 61.42 36.69 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.529 HD22 HD22 ' A' ' 14' ' ' LEU . 18.2 mt -105.58 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLN . 9.0 m -110.76 135.94 50.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD21 ' CD ' ' A' ' 41' ' ' GLN . 75.5 mt -35.32 -39.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.01 -46.22 88.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.8 mt-30 -65.44 -41.12 93.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.542 HD12 HD21 ' A' ' 22' ' ' LEU . 29.8 mm -51.68 -69.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -55.69 -49.72 72.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -47.96 -37.05 13.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -72.37 -42.06 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -57.91 -36.32 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.16 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -60.85 -36.81 80.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.856 ' CB ' HD12 ' A' ' 65' ' ' ILE . . . -63.25 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 13.4 mtp-105 -66.48 -1.58 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -103.97 -25.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -126.67 -43.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.856 HD12 ' CB ' ' A' ' 61' ' ' ALA . 80.1 mt -69.86 -56.92 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.615 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 6.0 tp -47.83 -53.59 30.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.79 3.32 2.85 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.482 HD22 HD22 ' A' ' 49' ' ' LEU . 3.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.77 137.23 34.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -34.69 -65.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -34.97 -45.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 m -77.11 -36.87 55.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 16' ' ' ALA . 55.9 t -60.48 -52.63 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -38.18 -39.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.4 mp -65.6 -45.02 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' VAL . 79.9 mt -73.09 -54.9 7.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.436 ' HE ' HD13 ' A' ' 65' ' ' ILE . 51.6 mtt180 -47.82 -58.51 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.81 -38.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.607 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 59.4 t90 -77.86 -49.23 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.8 ttm -52.38 -22.97 5.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.07 -62.16 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.28 -34.19 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' HIS . . . . . 0.607 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 55.5 m80 -101.32 4.02 41.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' HIS . 3.0 ptm180 -36.21 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' HIS . 5.6 m-85 -47.21 -49.72 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.9 ptpp? -105.56 -46.74 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 32' ' ' LYS . . . 72.73 52.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 53.4 m-85 -161.2 104.98 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.739 0.78 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 170.43 16.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.376 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.6 t -109.57 154.17 23.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' SER . 18.0 mt-10 -36.49 -29.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 36' ' ' SER . 18.6 mm-40 -80.82 -48.53 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.3 mm-40 -55.16 -53.53 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -52.5 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HA ' HD21 ' A' ' 51' ' ' LEU . 2.2 tp60 -46.53 -35.23 5.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.2 ttp -69.5 -51.46 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.48 -44.57 95.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -47.91 -25.99 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -73.66 -40.11 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -79.09 -41.2 29.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.6 p -86.31 -18.53 31.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' SER . 3.4 m120 65.04 28.77 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD22 HD22 ' A' ' 14' ' ' LEU . 15.4 mt -97.69 -174.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.9 m -109.2 138.85 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 41' ' ' GLN . 58.4 mt -38.99 -39.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.99 -48.28 79.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.74 -39.94 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -53.9 -68.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -53.74 -41.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 59' ' ' ILE . 68.3 m-20 -54.93 -55.24 32.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 57.2 t90 -51.52 -42.31 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 11.7 m-85 -57.86 -35.43 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 56' ' ' ASN . 76.4 mt -50.94 -71.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.76 -41.91 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.88 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -56.32 -33.59 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.735 ' HG3' HD22 ' A' ' 66' ' ' LEU . 53.7 ttt-85 -78.18 -7.72 57.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 37.6 mtp180 -105.2 -9.48 17.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -127.07 -43.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.88 HD12 ' HB1' ' A' ' 61' ' ' ALA . 17.8 mt -78.8 -59.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' A' ' 62' ' ' ARG . 37.5 tp -45.08 -50.32 27.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.957 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.668 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.75 -14.54 36.26 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -133.64 154.36 50.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -174.44 173.32 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 178.2 43.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -141.15 170.27 16.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -139.05 166.05 25.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.91 127.48 1.22 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -125.63 119.18 27.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -151.95 170.61 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -130.9 124.52 31.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -153.02 155.02 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.38 -142.47 0.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -51.5 176.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.75 HD22 ' CD2' ' A' ' 49' ' ' LEU . 10.8 mt -104.42 150.9 38.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.1 Cg_endo -69.72 130.57 19.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.748 2.299 . . . . 0.0 112.377 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.62 -66.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.8 tp10 -34.9 -43.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 m -75.86 -47.45 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.526 HG12 ' HE ' ' A' ' 23' ' ' ARG . 95.4 t -48.97 -46.98 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -39.42 -42.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.0 mp -60.14 -45.12 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 HD13 ' A' ' 43' ' ' LEU . 73.2 mt -71.17 -50.71 30.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HE ' HG12 ' A' ' 19' ' ' VAL . 49.0 mtm180 -54.0 -60.86 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' ARG . 11.6 t70 -36.68 -40.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.548 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 42.1 t90 -79.4 -42.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.8 ttt -58.42 -24.73 60.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -71.6 -64.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -53.13 -35.05 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.548 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 55.9 m80 -99.66 3.3 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.6 ptt180 -37.06 -33.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 49.7 m-85 -40.36 -48.48 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -116.76 -23.66 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.45 35.3 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CE2' ' NH2' ' A' ' 62' ' ' ARG . 48.6 m-85 -134.99 96.12 14.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 167.54 24.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.325 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' GLU . 23.0 m -106.82 154.11 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' SER . 26.0 mt-10 -35.88 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.1 mp0 -76.6 -50.9 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.7 mm-40 -55.41 -51.19 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 16.2 mttt -56.55 -61.2 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.766 ' OE1' HD11 ' A' ' 51' ' ' LEU . 10.3 tp60 -48.98 -33.31 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ttp -68.93 -51.28 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.484 HD13 HD23 ' A' ' 22' ' ' LEU . 5.2 mt -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -50.77 -24.83 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -74.77 -34.49 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -84.77 -40.16 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -83.65 -26.54 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.0 t30 73.13 37.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.75 ' CD2' HD22 ' A' ' 14' ' ' LEU . 11.6 mt -109.76 -174.9 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' GLN . 21.4 m -109.57 133.94 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.766 HD11 ' OE1' ' A' ' 41' ' ' GLN . 48.3 mt -34.25 -42.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 23.4 tp -59.49 -47.78 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' SER . 28.7 mt-30 -65.55 -41.07 93.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 49' ' ' LEU . 50.3 mm -50.42 -68.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -54.44 -44.85 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 46.2 m-20 -51.52 -47.47 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.443 ' CZ2' ' CD1' ' A' ' 65' ' ' ILE . 48.4 t90 -61.07 -41.47 96.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -57.75 -40.39 79.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.2 mt -49.1 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -64.16 -34.38 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -60.57 -34.35 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' CE2' ' A' ' 34' ' ' TYR . 12.1 mtp-105 -74.74 -0.5 18.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -103.5 -18.59 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -125.35 -43.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.964 HD12 ' HB1' ' A' ' 61' ' ' ALA . 60.3 mt -76.35 -65.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.636 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.4 tp -40.37 -52.23 5.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.72 -21.49 33.62 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.352 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ILE . 1.2 t0 -81.09 -32.22 34.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 13.7 ptp -91.72 -46.21 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 69' ' ' MET . 22.1 tp -74.01 -42.35 60.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 55.44 45.03 26.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -92.48 91.93 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -70.55 80.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -60.32 -54.17 48.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 68.99 50.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -127.06 88.76 53.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.13 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 m -56.86 124.36 18.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.14 146.7 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -178.64 2.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -103.04 -43.28 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 t 60.79 42.36 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 p -73.13 -53.65 10.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.365 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t 38.31 42.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.0 -104.8 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m 59.14 53.18 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -86.9 49.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.47 48.27 2.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -106.87 105.38 15.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.0 122.58 16.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -122.25 113.22 19.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 141.57 58.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.54 175.38 13.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.3 156.03 42.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.657 HD22 HD13 ' A' ' 49' ' ' LEU . 8.7 mt -77.78 150.87 79.17 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.583 0.706 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.79 133.79 26.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.82 -65.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 21' ' ' ILE . 20.8 tt0 -35.95 -46.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.463 ' HA ' HD13 ' A' ' 21' ' ' ILE . 73.3 m -73.58 -42.24 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' LEU . 84.1 t -53.58 -53.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -39.1 -38.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 18' ' ' SER . 3.7 mp -64.76 -44.22 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.187 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' CD2' HD13 ' A' ' 43' ' ' LEU . 75.6 mt -73.58 -52.82 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -49.88 -57.28 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -39.42 -49.76 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.551 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 31.0 t90 -71.32 -41.22 70.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.9 ttt -60.62 -24.18 65.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -72.47 -51.83 18.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -63.37 -41.67 98.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.551 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 46.5 m80 -96.29 3.68 52.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' CA ' ' O ' ' A' ' 26' ' ' MET . 33.7 ptt-85 -36.73 -38.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 25.0 m-85 -35.21 -44.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' CG ' ' H ' ' A' ' 34' ' ' TYR . 2.1 ptpt -118.04 -23.05 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.23 31.68 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.409 ' H ' ' CG ' ' A' ' 32' ' ' LYS . 22.6 m-85 -134.99 93.98 16.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.6 Cg_endo -69.81 172.09 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' GLU . 83.5 p -107.97 154.01 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.0 tt0 -36.3 -31.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.7 mp0 -74.54 -51.73 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' SER . 71.2 mm-40 -54.47 -53.87 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.55 -64.14 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.724 ' HA ' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.88 -41.13 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.0 ttp -63.46 -51.46 65.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 22' ' ' LEU . 12.9 mt -60.96 -46.56 90.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.5 p -46.73 -31.09 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.2 -38.44 81.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -82.05 -35.64 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.8 p -88.19 -15.15 36.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' SER . 90.1 m-20 62.43 36.82 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.657 HD13 HD22 ' A' ' 14' ' ' LEU . 19.5 mt -111.38 -179.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.7 m -103.82 135.5 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 ' HA ' ' A' ' 41' ' ' GLN . 97.2 mt -38.48 -34.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 tp -65.33 -47.09 77.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.6 mt-30 -67.41 -40.95 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -49.38 -69.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 t -51.28 -49.78 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.579 ' HA ' HD12 ' A' ' 59' ' ' ILE . 69.9 m-20 -44.44 -41.94 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.501 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 75.4 t90 -68.68 -39.28 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 12.9 m-85 -64.03 -30.61 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 56' ' ' ASN . 84.0 mt -61.27 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -29.62 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -66.92 -50.63 61.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.528 ' HG2' HD23 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.98 -1.72 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -103.87 -27.74 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.07 -43.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 61' ' ' ALA . 21.6 mt -69.11 -50.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.606 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.1 tp -49.32 -54.21 32.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.72 -5.0 15.13 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -98.22 -55.29 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.4 ptm -66.14 -36.18 82.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.01 -47.78 78.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -40.14 142.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -62.44 112.0 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -130.59 -53.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 125.74 45.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -48.78 124.98 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 20.4 t70 -113.39 89.85 15.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.58 0.705 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' ASP . 53.4 Cg_endo -69.8 174.91 8.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.2 t -88.4 149.46 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.3 162.45 15.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 147.98 63.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.268 . . . . 0.0 112.312 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m -146.22 164.64 31.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.1 p -82.35 175.2 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -131.41 -55.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -154.17 176.65 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.19 -136.4 7.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -175.03 171.42 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -159.46 171.45 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.28 152.01 18.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -171.66 136.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -150.86 108.14 3.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -132.52 153.65 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -104.8 157.64 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.13 148.56 5.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -119.15 156.09 30.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.499 HD22 HD22 ' A' ' 49' ' ' LEU . 2.0 mt -100.7 152.01 37.73 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 134.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.64 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 21' ' ' ILE . 8.3 tt0 -35.72 -53.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.409 ' HA ' HD13 ' A' ' 21' ' ' ILE . 10.3 p -66.28 -39.08 89.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 97.4 t -56.94 -52.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -39.58 -41.57 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.9 mp -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 75.3 mt -70.84 -54.95 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.585 ' HG2' HG21 ' A' ' 65' ' ' ILE . 9.4 mtp-105 -48.75 -60.87 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 3.7 t70 -37.32 -46.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.552 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 32.5 t90 -72.91 -41.6 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.1 ttm -60.57 -25.67 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -68.62 -51.64 40.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -61.78 -46.08 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.552 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 39.1 m80 -92.02 3.4 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.3 ptt-85 -36.82 -41.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 3.1 m-85 -37.78 -46.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -104.51 -32.97 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.766 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . . . 57.96 49.76 11.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 47.5 m-85 -160.58 104.95 1.32 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.967 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.9 Cg_endo -69.69 173.66 10.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.732 2.288 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 38' ' ' GLU . 1.5 t -112.67 151.59 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 29.7 tt0 -34.34 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -76.41 -49.95 15.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.0 mm-40 -54.09 -53.25 55.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -54.81 -58.69 6.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.25 -32.16 15.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ttp -75.11 -52.66 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.92 -44.04 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -47.54 -24.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.15 -39.16 55.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HB2' HG21 ' A' ' 21' ' ' ILE . 11.8 mtpt -79.84 -39.61 30.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -87.91 -16.35 34.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.2 t30 64.87 29.35 12.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.5 mt -103.14 -175.81 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLN . 54.6 m -115.82 136.89 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.64 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.7 mp -33.71 -40.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.81 -49.94 73.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.4 mt-30 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 49' ' ' LEU . 48.9 mm -63.59 -68.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 -50.04 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.682 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.6 m-20 -48.97 -47.49 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.57 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 57.7 t90 -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.0 m-85 -52.95 -31.38 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 56' ' ' ASN . 65.4 mt -59.82 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -66.39 -23.57 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -80.09 -27.49 39.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.766 ' HE ' ' HB3' ' A' ' 33' ' ' ALA . 39.1 ttt-85 -79.24 -11.85 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.421 ' C ' ' HG3' ' A' ' 67' ' ' PRO . 18.9 ptp180 -104.95 -6.77 19.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 29.1 ttp180 -125.45 -43.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.585 HG21 ' HG2' ' A' ' 23' ' ' ARG . 3.0 mt -79.52 -62.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.639 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 17.0 tp -42.38 -52.4 10.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.3 Cg_endo -69.7 -17.63 37.74 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 4.2 m-20 -86.42 -35.56 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.1 ptp -72.59 -43.25 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.78 -44.24 96.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.44 ' HB3' HD22 ' A' ' 75' ' ' ASN . 37.0 mt-30 61.15 38.79 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' ARG . 21.4 mm100 -60.57 94.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLN . 9.5 ptm180 36.47 40.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -97.03 -45.05 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.44 HD22 ' HB3' ' A' ' 71' ' ' GLN . 8.9 m-20 -46.45 102.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -116.81 144.09 32.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 113.52 3.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 t -95.4 148.36 22.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.39 137.77 19.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 138.15 36.99 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.637 2.224 . . . . 0.0 112.302 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.4 m -126.99 154.21 44.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.1 p -157.91 157.0 32.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -163.05 168.4 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -92.27 147.55 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.26 -105.44 0.58 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -73.05 85.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 m -52.9 -54.71 30.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.88 98.08 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -81.0 88.58 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -132.23 147.19 52.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -85.84 -59.59 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.0 tptp 66.82 42.38 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.55 174.99 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.17 170.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 49' ' ' LEU . 3.5 mt -82.13 152.1 67.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.3 Cg_endo -69.71 133.77 26.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.0 -65.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.1 tm-20 -35.71 -57.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.0 m -59.46 -45.88 90.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.546 HG12 ' HG3' ' A' ' 23' ' ' ARG . 60.2 t -53.58 -51.25 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' VAL . 1.5 tmtp? -37.04 -35.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.72 -43.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' VAL . 78.1 mt -74.85 -45.76 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' HG3' HG12 ' A' ' 19' ' ' VAL . 17.1 mtm105 -57.13 -56.37 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.73 -38.88 4.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.597 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 39.3 t90 -76.37 -44.09 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.493 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.1 ttm -52.51 -30.39 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 3.0 t80 -68.32 -57.83 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -54.65 -48.88 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.597 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 9.0 m-70 -89.77 3.5 52.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' CA ' ' O ' ' A' ' 26' ' ' MET . 25.6 ptt180 -40.81 -33.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -38.47 -48.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -111.92 -17.65 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 50.63 51.15 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 50.0 m-85 -162.21 105.02 1.11 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 54.4 Cg_endo -69.72 171.67 14.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.396 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 53.2 m -109.1 151.58 26.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' SER . 3.5 mp0 -36.31 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 8.0 mm-40 -75.67 -48.42 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.4 mm-40 -57.45 -60.96 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -43.87 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.662 ' OE1' HD11 ' A' ' 51' ' ' LEU . 2.3 tp60 -53.7 -37.88 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 39' ' ' GLU . 9.5 tmm? -67.16 -52.81 36.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.71 -42.84 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.73 -27.25 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -71.99 -36.03 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -35.88 24.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 p -92.74 -15.88 26.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.9 m120 60.31 32.49 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 14' ' ' LEU . 14.8 mt -99.54 -175.59 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.9 m -107.61 136.24 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.662 HD11 ' OE1' ' A' ' 41' ' ' GLN . 60.0 mt -38.17 -35.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -66.46 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.2 mt-30 -64.72 -36.8 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 49' ' ' LEU . 47.9 mm -55.56 -67.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 t -55.03 -44.43 74.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -53.09 -51.33 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 51.8 t90 -55.33 -36.55 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.494 ' O ' ' NE ' ' A' ' 62' ' ' ARG . 12.2 m-85 -63.6 -19.97 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -71.4 -63.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -71.08 -28.47 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.95 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -70.57 -44.75 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 58' ' ' PHE . 13.2 mtm105 -68.24 -1.15 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 71.4 mtt180 -99.63 -28.38 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.45 -42.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.95 HD12 ' HB1' ' A' ' 61' ' ' ALA . 50.1 mt -69.45 -56.83 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 6.0 tp -46.51 -53.18 25.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.699 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.1 Cg_endo -69.82 -7.93 22.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.48 -43.73 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.572 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 15.3 ptp -86.68 -42.59 13.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 tp -78.87 -27.06 43.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 49.8 50.84 17.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -79.02 82.14 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.9 103.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -127.78 -43.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -130.22 40.85 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 19.3 t0 -125.39 100.42 32.26 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 76' ' ' ASP . 53.2 Cg_endo -69.81 130.77 19.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 t -48.98 105.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.34 -95.24 0.12 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.75 54.9 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.8 t -136.94 156.07 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.822 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 82.4 p -95.65 -36.62 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -174.65 158.09 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -102.04 -47.91 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.57 151.87 2.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t -162.24 161.69 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -166.61 152.58 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.54 -55.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -42.1 139.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -142.41 141.16 32.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -172.45 126.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -50.37 159.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.1 107.0 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.424 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -89.73 162.63 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 HD13 ' A' ' 49' ' ' LEU . 5.5 mt -97.41 147.81 33.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.8 139.96 41.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.93 -64.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 21' ' ' ILE . 11.1 pt-20 -35.09 -51.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.539 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.3 t -69.49 -41.46 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ALA . 85.2 t -54.72 -52.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -39.89 -42.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -62.21 -46.46 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 54' ' ' ILE . 70.6 mt -70.84 -57.23 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -46.24 -52.39 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -44.15 -43.36 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.585 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 68.9 t90 -77.92 -49.51 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 2.8 ttt -54.33 -23.09 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -72.49 -62.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.585 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 60.8 m80 -101.71 3.4 39.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' CA ' ' O ' ' A' ' 26' ' ' MET . 14.1 ptt85 -38.02 -35.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -41.35 -44.88 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -114.87 -32.61 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.03 25.14 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 56.6 m-85 -129.03 88.66 50.91 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.11 19.7 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 4.3 t -104.93 149.59 25.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.3 mt-10 -34.51 -32.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.8 mp0 -73.51 -51.74 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' SER . 17.0 mt-10 -58.3 -51.62 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB3' HG21 ' A' ' 54' ' ' ILE . 10.8 mttt -53.31 -54.13 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -48.94 -39.94 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 40' ' ' LYS . 8.0 mt -71.14 -36.27 72.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -53.8 -24.32 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.43 -43.46 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -30.64 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 p -97.77 -17.45 19.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.5 t-20 63.38 31.62 15.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.525 HD11 ' OG ' ' A' ' 18' ' ' SER . 10.9 mt -104.35 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLN . 20.1 m -115.38 135.61 53.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.7 mp -33.61 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 56' ' ' ASN . 27.2 tp -56.92 -47.69 80.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 23.2 mt-30 -72.38 -34.4 67.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 40' ' ' LYS . 45.9 mm -56.39 -69.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.7 t -56.32 -45.9 80.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.422 HD21 HD11 ' A' ' 52' ' ' LEU . 57.7 m-20 -48.71 -44.75 38.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -63.24 -41.62 99.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 26' ' ' MET . 12.6 m-85 -58.53 -42.51 87.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.2 mt -50.85 -67.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.937 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -54.17 -34.09 59.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HG3' ' CE ' ' A' ' 26' ' ' MET . 9.8 mtp-105 -69.48 -0.61 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 43.9 mtp180 -103.5 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -126.29 -43.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.937 HD12 ' HB1' ' A' ' 61' ' ' ALA . 12.4 mt -70.69 -61.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 7.3 tp -44.63 -54.04 13.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.2 Cg_endo -69.81 -11.21 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.228 . . . . 0.0 112.316 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -89.04 -43.38 11.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.447 ' HG3' HD12 ' A' ' 70' ' ' LEU . 19.6 ptp -63.6 -46.66 84.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.447 HD12 ' HG3' ' A' ' 69' ' ' MET . 2.3 mp -55.69 -46.82 77.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 70' ' ' LEU . 20.2 mm100 -35.3 -46.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -52.31 161.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -42.17 106.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 14.1 mtm105 -84.48 172.66 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -124.36 135.0 52.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 78.9 m-20 -114.55 90.78 22.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' ASP . 53.7 Cg_endo -69.77 132.94 24.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.703 2.268 . . . . 0.0 112.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -51.52 110.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.78 148.43 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -178.26 2.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.5 p -128.84 165.05 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -136.3 165.55 25.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -117.36 166.95 11.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.375 . . . . 0.0 110.837 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -148.07 139.03 23.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.33 168.4 11.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -159.26 144.23 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -160.26 125.31 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.26 137.67 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -110.43 100.55 9.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -153.06 124.72 7.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -119.5 173.04 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.1 pttt 40.35 39.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.11 138.28 13.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -88.02 173.3 8.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.815 HD22 HD22 ' A' ' 49' ' ' LEU . 6.0 mt -107.77 151.16 41.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.578 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.78 138.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -33.01 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 21' ' ' ILE . 3.2 tp10 -34.14 -47.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.456 ' HA ' HD13 ' A' ' 21' ' ' ILE . 9.4 m -74.88 -39.2 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 15' ' ' PRO . 20.7 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -38.11 -40.7 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.9 mp -60.7 -42.3 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 19' ' ' VAL . 85.2 mt -77.79 -46.68 20.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HD2' HG12 ' A' ' 19' ' ' VAL . 43.9 mtt-85 -55.18 -55.11 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -47.83 -39.67 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.608 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 41.6 t90 -76.57 -39.38 52.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -59.97 -25.98 65.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -69.98 -56.85 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -58.31 -38.7 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.608 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 59.0 m80 -98.44 3.77 48.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 ptt180 -36.6 -41.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -39.08 -65.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -84.55 -41.35 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.49 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 65.58 48.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -159.22 105.0 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.934 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' GLU . 17.1 t -109.46 154.06 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -38.61 -26.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mm-40 -83.56 -44.09 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.7 mm-40 -60.92 -55.24 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.2 mttt -49.81 -60.14 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.784 ' OE1' HD11 ' A' ' 51' ' ' LEU . 4.2 tp60 -50.14 -37.59 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.7 ttp -66.2 -53.23 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.79 -38.31 84.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.7 t -54.28 -26.69 30.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -75.24 -39.8 59.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.44 -27.24 46.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.482 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 81.3 p -100.79 -20.35 15.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' SER . 18.7 t30 66.98 36.03 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.815 HD22 HD22 ' A' ' 14' ' ' LEU . 12.7 mt -104.29 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 22.7 m -109.04 134.47 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.784 HD11 ' OE1' ' A' ' 41' ' ' GLN . 40.5 mt -35.15 -41.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 56' ' ' ASN . 19.2 tp -62.24 -45.87 91.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 36.3 mt-30 -66.92 -37.96 85.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 40' ' ' LYS . 43.2 mm -55.25 -67.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -55.75 -50.95 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.404 HD21 HD11 ' A' ' 52' ' ' LEU . 38.4 m-20 -46.94 -44.87 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.535 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 61.5 t90 -62.94 -57.79 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.0 m-85 -43.1 -37.88 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -53.5 -72.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -43.96 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -60.79 -24.26 65.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.489 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 59.8 ttt-85 -79.2 -7.77 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -103.96 -11.76 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 11.5 mtp-105 -124.91 -42.77 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' A' ' 61' ' ' ALA . 2.7 mt -77.71 -63.66 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.619 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.4 tp -39.84 -52.92 4.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 2.2 m-20 -80.01 -40.07 28.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.7 ptp -87.53 -33.62 18.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.19 -30.72 66.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' GLN . 33.7 mm-40 -50.96 148.76 3.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' GLN . 15.1 mp0 -34.27 140.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -95.44 -179.26 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 tpt85 -74.93 133.29 41.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -39.32 125.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.82 148.33 46.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.52 24.24 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.352 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -85.26 108.69 17.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.02 146.2 16.92 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 121.61 8.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.6 p -159.99 148.01 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.4 t -40.93 -60.54 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -60.45 -58.67 7.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -82.13 175.62 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 135.58 -51.61 0.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' GLY . 35.2 t -34.59 -54.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -52.88 142.56 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.59 100.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -133.36 157.48 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -142.92 159.08 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -123.97 40.77 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -136.27 172.14 13.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.87 162.03 11.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.523 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -150.36 146.22 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 49' ' ' LEU . 17.6 mt -70.76 148.17 94.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.651 0.739 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.5 Cg_endo -69.77 145.59 57.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.7 -61.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 14.3 pt-20 -36.21 -51.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -68.17 -49.27 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 15' ' ' PRO . 82.5 t -46.73 -46.82 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -40.26 -43.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 47' ' ' THR . 4.2 mp -61.97 -44.24 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.494 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 96.8 mt -71.82 -58.05 3.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 26.5 mtp180 -46.52 -55.19 7.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -40.4 -42.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.634 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 33.5 t90 -78.5 -42.38 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.708 ' HE2' ' HA ' ' A' ' 62' ' ' ARG . 3.4 ttt -57.22 -20.22 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -77.33 -52.06 9.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -62.24 -46.39 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.634 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 17.3 m80 -92.12 3.64 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CA ' ' O ' ' A' ' 26' ' ' MET . 17.6 ptt85 -36.77 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' HIS . 20.6 m-85 -43.49 -45.63 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -112.65 -27.16 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.15 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 47.0 m-85 -131.03 91.44 36.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.675 0.75 . . . . 0.0 110.969 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.66 33.74 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' GLU . 40.8 t -102.83 150.46 23.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 20.4 mt-10 -35.66 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mt-10 -76.02 -49.18 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.9 mt-10 -56.96 -54.94 40.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.0 mttt -50.56 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.531 ' HB2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.87 -47.05 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 ttp -55.16 -41.72 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 40' ' ' LYS . 6.2 mt -75.04 -38.12 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -50.95 -28.9 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -74.12 -35.14 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -32.57 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 80.4 p -93.21 -12.27 30.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 62.03 30.46 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 14' ' ' LEU . 19.5 mt -103.2 -176.19 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' LEU . 19.4 m -105.39 133.95 49.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' A' ' 41' ' ' GLN . 12.2 mt -35.43 -38.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.2 tp -64.58 -54.93 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -57.48 -31.77 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 40' ' ' LYS . 21.3 mm -65.16 -62.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -52.24 -54.19 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.513 ' HA ' HD12 ' A' ' 59' ' ' ILE . 6.9 m120 -49.88 -57.5 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.494 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 56.9 t90 -43.49 -52.34 6.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 62' ' ' ARG . 9.9 m-85 -50.63 -40.59 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 56' ' ' ASN . 66.3 mt -48.33 -72.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 m120 -63.42 -40.06 96.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.86 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -63.73 -23.82 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.708 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 52.1 ttt-85 -79.48 -14.76 58.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ptp180 -106.27 -3.61 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 48.5 ttp180 -126.35 -43.14 1.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.86 HD12 ' HB1' ' A' ' 61' ' ' ALA . 7.7 mt -82.41 -61.74 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.666 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.5 tp -42.52 -50.43 12.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.76 -19.57 35.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 25.6 t0 -86.43 -34.74 20.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 17.3 ptp -70.9 -43.54 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 66' ' ' LEU . 3.2 mm? -47.97 -53.16 16.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 61.11 43.52 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 74' ' ' ARG . 3.1 tp60 -44.26 158.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 74' ' ' ARG . 1.1 mmp_? -34.7 -33.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' GLN . 25.5 mmt180 -34.42 141.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 75' ' ' ASN . 5.0 p-10 -34.52 104.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -114.35 144.14 31.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 179.48 3.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.308 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -69.8 137.99 52.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.47 157.41 15.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.532 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.31 46.42 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.6 m -160.58 158.87 29.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.5 p -170.85 160.28 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -127.91 170.93 12.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -108.38 -50.5 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.16 49.72 18.09 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -61.1 131.57 50.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -130.86 -48.07 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.79 132.68 5.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -147.23 167.48 24.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.826 0.346 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -127.26 107.37 9.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -174.78 158.99 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.92 137.84 32.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.6 139.91 3.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.15 153.05 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD22 HD13 ' A' ' 49' ' ' LEU . 3.8 mt -82.34 148.51 59.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 138.96 39.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.49 -63.24 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 21' ' ' ILE . 27.8 tt0 -36.13 -55.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.574 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.8 t -66.39 -39.78 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.16 -53.7 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -39.61 -40.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.6 mp -64.18 -44.35 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.4 mt -74.53 -56.66 4.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -44.94 -57.17 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -41.47 -48.89 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.549 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 19.5 t90 -71.81 -36.94 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -63.87 -26.01 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -73.12 -53.26 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -63.78 -35.21 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.549 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 60.5 m80 -101.93 3.64 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.6 ptt-85 -40.59 -28.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.0 m-30 -42.03 -53.78 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -102.8 -30.09 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 61.16 47.13 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 56.5 m-85 -160.71 104.97 1.3 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.674 0.75 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.76 166.29 28.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 43.8 t -99.98 151.75 20.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -37.1 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -83.31 -46.35 12.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.2 mm-40 -55.44 -51.0 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 43' ' ' LEU . 18.5 mttt -54.37 -65.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.518 ' OE1' HD11 ' A' ' 51' ' ' LEU . 6.7 tp60 -42.1 -38.22 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 ttp -64.59 -50.51 66.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 40' ' ' LYS . 5.1 mt -64.16 -44.55 91.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 t -46.66 -21.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.5 -41.24 40.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -78.92 -29.65 44.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.1 p -95.18 -29.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 73.38 35.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD13 HD22 ' A' ' 14' ' ' LEU . 8.0 mt -106.13 -174.88 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 5.0 m -107.65 134.89 49.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.518 HD11 ' OE1' ' A' ' 41' ' ' GLN . 91.5 mt -36.68 -37.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD11 HD21 ' A' ' 56' ' ' ASN . 40.6 tp -65.14 -45.66 84.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.7 mt-30 -68.27 -33.77 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.41 -68.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 t -56.26 -43.48 78.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.412 HD21 HD11 ' A' ' 52' ' ' LEU . 66.7 m-20 -55.1 -41.9 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.454 ' CD1' HD12 ' A' ' 14' ' ' LEU . 16.1 t90 -66.47 -43.06 86.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.1 m-85 -53.52 -36.79 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.39 -63.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -66.15 -29.52 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.644 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -79.13 -24.2 43.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.507 ' HG3' HD22 ' A' ' 66' ' ' LEU . 61.4 ttt-85 -77.58 -12.81 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -106.35 -4.71 19.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 23.4 ttp180 -125.96 -44.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.644 HD12 ' HB1' ' A' ' 61' ' ' ALA . 25.4 mt -84.02 -66.07 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.588 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 8.7 tp -33.53 -54.51 0.73 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -30.43 22.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ILE . 15.4 t70 -72.27 -29.9 64.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.9 ptp -89.46 -33.8 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.36 -30.56 19.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -52.3 171.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -75.83 48.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -53.59 11.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -121.63 152.25 39.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -45.6 131.15 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -110.0 148.42 38.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.606 0.717 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 114.32 3.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.335 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.6 p -78.45 149.99 33.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 158.25 -160.26 30.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 137.61 36.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.7 t -116.78 157.93 24.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.5 m -164.88 171.36 14.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -153.99 141.18 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -134.23 175.52 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.1 121.25 0.59 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -141.5 119.01 11.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -139.78 147.47 40.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.04 175.95 38.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -107.18 167.48 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -38.96 -49.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -147.83 127.01 12.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -134.97 100.34 4.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.35 -138.53 4.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.444 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -149.15 160.65 43.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' ' 57' ' ' TRP . 7.5 mt -61.32 148.5 85.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.77 134.53 28.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -37.23 -61.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' SER . 10.3 pt-20 -38.95 -41.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 54.4 p -80.26 -44.96 18.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.549 HG12 ' HE ' ' A' ' 23' ' ' ARG . 69.5 t -52.56 -50.06 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -39.66 -43.08 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -59.48 -46.32 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 84.3 mt -71.02 -52.05 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HE ' HG12 ' A' ' 19' ' ' VAL . 51.1 mtm180 -51.87 -62.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 6.9 t70 -37.74 -38.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.587 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 52.4 t90 -79.16 -47.84 15.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.4 ttm -56.2 -23.39 35.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -70.74 -50.94 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.28 -35.22 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 55.2 m80 -99.7 3.87 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' MET . 28.6 ptt180 -36.47 -40.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -39.62 -53.13 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -98.55 -36.79 9.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.46 49.07 5.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.409 ' OH ' ' NE ' ' A' ' 62' ' ' ARG . 43.7 m-85 -158.79 104.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.565 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 54.2 Cg_endo -69.75 166.01 29.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' GLU . 71.0 m -103.12 151.59 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' SER . 5.9 tt0 -35.41 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' SER . 21.0 mt-10 -79.29 -48.47 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.6 mm-40 -52.31 -54.41 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -53.91 -60.17 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.698 ' OE1' HD11 ' A' ' 51' ' ' LEU . 12.6 tp60 -52.44 -26.6 13.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.6 ttp -77.25 -51.07 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.65 -45.14 91.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 p -47.11 -26.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -76.94 -41.35 43.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -82.72 -17.92 42.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.59 38.55 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 HD22 ' A' ' 14' ' ' LEU . 11.1 mt -111.58 -176.27 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 p -108.4 143.02 37.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.698 HD11 ' OE1' ' A' ' 41' ' ' GLN . 92.4 mt -41.21 -38.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 27.2 tp -60.78 -51.03 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.52 -38.03 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.8 mm -53.36 -68.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.71 -40.66 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.419 ' HA ' HD21 ' A' ' 56' ' ' ASN . 2.2 m120 -53.36 -37.67 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.516 ' CD1' HD12 ' A' ' 14' ' ' LEU . 28.7 t90 -72.08 -33.74 68.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 14.9 m-85 -63.56 -27.28 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.52 -64.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -32.91 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.877 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -67.55 -57.27 6.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.656 ' HG3' HD22 ' A' ' 66' ' ' LEU . 59.4 ttp85 -57.78 -9.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -86.3 -34.73 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 -44.4 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.877 HD12 ' HB1' ' A' ' 61' ' ' ALA . 43.8 mt -58.96 -58.17 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.656 HD22 ' HG3' ' A' ' 62' ' ' ARG . 9.9 tp -48.34 -56.07 15.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.74 -1.83 9.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -97.73 -38.61 9.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.569 ' HE3' HG22 ' A' ' 65' ' ' ILE . 21.9 ptp -72.16 -37.12 69.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.51 HD12 ' HG3' ' A' ' 69' ' ' MET . 3.2 mp -65.87 -33.64 76.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 55.03 42.97 30.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -54.41 173.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -44.46 100.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -153.82 144.15 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -77.33 87.94 3.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -124.09 143.61 42.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.66 45.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -93.11 148.27 22.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.85 -74.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.87 40.4 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -163.64 162.38 24.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' GLY . 6.4 t -125.93 133.01 51.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -157.79 177.54 11.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -143.38 170.67 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.48 144.8 16.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 52.6 m -149.92 164.43 35.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.7 t -37.17 -62.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.33 153.43 17.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 9' ' ' LYS . 6.9 mptt -103.68 -71.23 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HG2' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -135.86 174.53 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 157.16 16.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -94.69 171.94 8.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.41 169.96 35.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -121.81 156.33 33.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 49' ' ' LEU . 11.6 mt -99.4 151.87 37.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.625 0.726 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 137.17 34.85 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.2 -63.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' ALA . 16.8 tt0 -35.11 -54.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -69.64 -49.53 52.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG1' ' HG3' ' A' ' 23' ' ' ARG . 69.4 t -45.64 -50.9 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -39.84 -41.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 mp -62.76 -48.1 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 58' ' ' PHE . 67.7 mt -70.04 -56.0 8.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 21.9 mtp180 -46.39 -57.07 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -39.98 -46.79 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.545 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 33.6 t90 -74.74 -42.25 58.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.492 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -60.24 -23.17 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -71.16 -51.83 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.47 -44.6 90.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.545 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 48.3 m80 -92.2 3.47 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' CA ' ' O ' ' A' ' 26' ' ' MET . 37.2 ptt180 -37.29 -39.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.5 t80 -38.07 -48.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -107.03 -16.03 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.619 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 38.3 28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 44.1 m-85 -134.68 92.0 20.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.533 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.77 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 29.0 t -103.97 151.35 23.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' SER . 9.1 tt0 -34.3 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 49.1 mt-10 -69.27 -54.05 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mm-40 -55.27 -60.5 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.589 ' HB3' HG21 ' A' ' 54' ' ' ILE . 15.0 mttt -45.36 -58.11 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.64 ' HG2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -48.37 -49.96 32.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 43' ' ' LEU . 7.4 tmm? -54.67 -52.46 62.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 40' ' ' LYS . 5.0 mt -61.06 -38.32 85.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -52.34 -21.71 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.57 -39.51 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -79.54 -39.77 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -84.69 -11.58 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.38 31.0 17.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.6 ' CD1' HD22 ' A' ' 14' ' ' LEU . 22.7 mt -100.33 -177.19 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' GLN . 85.6 p -104.57 133.92 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 ' HG2' ' A' ' 41' ' ' GLN . 12.2 mt -38.53 -31.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.486 HD21 ' HG2' ' A' ' 9' ' ' LYS . 26.0 tp -68.82 -45.45 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.5 mt-30 -68.84 -33.16 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 40' ' ' LYS . 33.3 mm -57.42 -67.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -52.4 -46.0 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -50.55 -51.45 47.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 54.3 t90 -60.36 -44.32 95.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 22' ' ' LEU . 11.1 m-85 -58.29 -42.41 86.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -51.85 -70.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -62.22 -46.86 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -59.94 -21.02 60.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -79.62 -17.5 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HA ' ' NH2' ' A' ' 62' ' ' ARG . 2.6 ptm180 -104.56 -2.64 24.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -126.0 -42.67 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.558 HG22 ' CE ' ' A' ' 69' ' ' MET . 2.0 mt -83.23 -67.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.619 HD22 ' CB ' ' A' ' 33' ' ' ALA . 11.5 tp -34.19 -54.68 0.86 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.8 -28.48 24.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.9 t70 -77.4 -24.73 50.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.558 ' CE ' HG22 ' A' ' 65' ' ' ILE . 21.3 ptp -88.86 -44.29 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 69' ' ' MET . 10.9 mt -46.85 -37.56 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -50.85 99.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -87.25 133.41 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -152.04 130.76 12.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 74' ' ' ARG . 2.4 mpt_? -91.2 112.52 24.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -157.67 125.46 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -120.0 88.85 41.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.572 0.701 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.77 18.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.2 t -94.1 151.33 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.78 -165.92 11.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 102.2 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.0 t -72.97 -57.38 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.7 m -129.02 120.83 26.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -70.95 -44.81 65.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 41.59 45.42 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.09 86.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -143.36 172.46 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -118.72 129.05 55.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.47 144.46 16.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -107.24 168.44 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -70.31 119.19 14.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -139.76 123.09 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -128.17 134.55 49.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.3 -173.74 27.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -101.9 160.66 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.553 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -83.61 151.39 61.65 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.968 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.8 143.45 50.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -45.76 -60.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 18' ' ' SER . 11.2 pt-20 -36.28 -42.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' HG22 ' A' ' 47' ' ' THR . 10.5 p -78.91 -39.44 34.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 15' ' ' PRO . 59.4 t -55.61 -52.38 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' VAL . 19.4 tttp -35.69 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.44 HG21 ' HB2' ' A' ' 46' ' ' LYS . 4.0 mp -66.91 -45.53 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 19' ' ' VAL . 98.3 mt -72.4 -48.12 43.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.479 ' HG3' HG12 ' A' ' 19' ' ' VAL . 12.9 mtm105 -54.91 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' ARG . 9.7 t0 -37.11 -44.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.595 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 18.4 t90 -75.15 -38.39 60.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -60.12 -28.83 68.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.3 -53.8 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.94 -40.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.595 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 56.6 m80 -97.89 3.56 49.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' MET . 15.9 ptt180 -38.47 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' HIS . 15.9 m-85 -40.07 -46.2 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -24.41 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 55.0 51.36 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' CZ ' ' HD3' ' A' ' 62' ' ' ARG . 47.3 m-85 -160.45 104.99 1.34 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.664 0.745 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.565 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.78 157.3 60.8 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 28.7 t -95.66 153.14 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' SER . 30.0 mt-10 -35.75 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 34.2 mm-40 -78.96 -48.4 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 70.2 mm-40 -52.71 -53.08 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 42' ' ' MET . 17.4 mttt -55.04 -63.31 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.445 ' CD ' HD11 ' A' ' 51' ' ' LEU . 5.1 tp-100 -44.15 -22.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' LYS . 12.8 ttp -88.15 -49.01 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.49 -38.67 90.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 p -55.99 -24.24 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.87 -40.29 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HB2' HG21 ' A' ' 21' ' ' ILE . 18.0 mttm -77.42 -40.72 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' SER . 62.6 p -82.25 -19.86 38.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 70.82 28.27 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.553 HD13 HD22 ' A' ' 14' ' ' LEU . 7.1 mt -105.67 -174.18 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.1 m -114.88 137.66 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.1 mp -34.73 -43.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.92 -45.6 78.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' SER . 33.8 mt-30 -73.82 -31.97 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -57.97 -69.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m -51.99 -51.25 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.463 ' HA ' HD12 ' A' ' 59' ' ' ILE . 64.2 m-20 -43.47 -38.76 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 68.0 t90 -68.96 -50.42 49.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 31.3 m-85 -52.5 -31.59 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 56' ' ' ASN . 66.2 mt -53.63 -72.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -68.88 -39.72 79.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.572 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -54.0 -48.7 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 40.3 ttt-85 -59.66 -9.28 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -103.76 -20.79 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -125.48 12.51 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.572 HD12 ' HB1' ' A' ' 61' ' ' ALA . 5.6 mt -132.91 -61.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.623 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.2 tp -46.52 -52.76 28.28 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -8.99 25.0 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.398 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -95.38 -31.12 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.9 ptp -94.95 -39.05 10.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.58 -29.51 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -49.9 150.44 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -52.18 127.13 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -143.73 -176.1 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -106.03 91.83 3.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -163.69 172.25 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.54 96.37 7.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 115.49 4.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t -89.04 103.99 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.63 124.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -40.68 4.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.1 t 68.36 39.77 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.3 p -118.04 127.29 53.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -163.16 154.71 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -125.42 118.45 25.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.72 96.48 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -112.48 169.57 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -101.11 -41.93 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.57 141.48 3.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -82.52 46.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -96.02 -42.73 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -54.54 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.7 143.67 29.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.55 85.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.521 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -138.76 147.28 42.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 49' ' ' LEU . 17.0 mt -111.24 151.4 43.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.79 133.46 25.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.05 -63.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.6 tt0 -36.26 -53.91 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -68.02 -48.1 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . 53.2 t -47.34 -53.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' VAL . 47.0 tttm -36.69 -41.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -63.9 -47.55 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 83.5 mt -69.95 -54.39 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 9.7 mtp-105 -49.15 -61.57 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -39.26 -42.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.552 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 20.6 t90 -76.65 -38.67 54.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.6 ttt -59.42 -23.85 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 1.9 t80 -71.64 -62.37 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -53.64 -35.68 61.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.552 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 57.9 m80 -101.63 3.41 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.836 ' HD2' HD12 ' A' ' 70' ' ' LEU . 16.1 ptt180 -41.58 -30.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.86 -44.21 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -114.26 -26.63 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.718 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . . . 57.01 48.35 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 47.9 m-85 -159.85 105.03 1.43 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.727 0.775 . . . . 0.0 110.946 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 34' ' ' TYR . 53.8 Cg_endo -69.78 172.64 12.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' GLU . 9.2 t -106.32 150.73 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -37.64 -27.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.9 mt-10 -80.59 -49.34 11.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' SER . 48.9 mt-10 -57.55 -53.1 61.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -49.7 -56.29 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' A' ' 51' ' ' LEU . 11.0 tp60 -53.35 -34.5 57.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.2 ttp -69.51 -53.37 19.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.61 -46.13 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.18 -26.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -72.52 -40.78 66.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -38.29 32.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.2 p -87.8 -19.72 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 86.3 m-20 63.37 38.54 10.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.581 ' CD2' HD22 ' A' ' 14' ' ' LEU . 15.3 mt -109.09 -175.95 2.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.0 m -107.38 134.17 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.582 HD11 ' OE1' ' A' ' 41' ' ' GLN . 97.9 mt -34.84 -41.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.76 -47.2 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.2 mt-30 -65.13 -38.56 91.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.417 HD12 HD21 ' A' ' 22' ' ' LEU . 44.7 mm -54.18 -68.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 t -54.12 -46.73 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 59' ' ' ILE . 4.4 m120 -51.21 -53.08 38.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.554 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 62.5 t90 -54.0 -44.41 70.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -56.58 -33.12 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 56' ' ' ASN . 69.2 mt -54.56 -72.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -61.32 -44.4 97.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -52.98 -43.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.773 ' HG3' HD22 ' A' ' 66' ' ' LEU . 50.2 ttp85 -65.44 -2.25 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 75.8 mtt-85 -103.6 -27.8 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -125.46 -43.63 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.554 HD12 ' CZ2' ' A' ' 57' ' ' TRP . 5.8 mt -68.27 -57.75 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.773 HD22 ' HG3' ' A' ' 62' ' ' ARG . 12.1 tp -46.02 -54.02 18.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.79 -8.49 23.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.352 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -89.79 -47.29 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.521 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 17.1 ptp -74.34 -33.82 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.836 HD12 ' HD2' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -49.75 -45.41 49.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' CD ' ' O ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -107.56 48.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -97.64 173.47 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 61.44 45.87 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -59.65 125.63 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 53.43 41.45 32.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.5 t70 -95.17 140.05 22.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 76' ' ' ASP . 53.4 Cg_endo -69.8 162.43 42.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.239 . . . . 0.0 112.331 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.6 t -49.51 146.99 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.93 145.95 6.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.05 29.96 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.28 . . . . 0.0 112.311 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.5 m -46.38 -56.4 5.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m 48.24 43.11 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -110.82 95.9 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.934 0.397 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -124.91 -57.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.44 107.07 3.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 m -63.04 140.29 58.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -40.18 106.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 -127.55 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.99 155.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -139.6 114.8 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -132.58 155.16 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 12' ' ' GLY . 11.8 tmtt? -101.51 144.58 30.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' HD3' ' A' ' 11' ' ' LYS . . . 137.03 172.06 12.4 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.497 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -64.63 166.54 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 49' ' ' LEU . 2.6 mt -91.29 151.58 43.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.554 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.4 Cg_endo -69.82 141.5 45.15 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -41.52 -61.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' O ' HD12 ' A' ' 21' ' ' ILE . 9.9 pt-20 -36.47 -45.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.56 ' HA ' HD13 ' A' ' 21' ' ' ILE . 4.1 t -76.09 -38.86 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 15' ' ' PRO . 58.6 t -54.86 -53.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -39.51 -43.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 18' ' ' SER . 4.6 mp -60.63 -49.68 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.05 -56.41 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' NE ' HG12 ' A' ' 19' ' ' VAL . 53.5 mtm180 -46.12 -59.66 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -37.07 -42.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.531 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 72.7 t90 -75.54 -54.97 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.501 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -48.54 -19.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -75.11 -49.58 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -66.73 -36.57 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.531 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.4 m-70 -101.67 4.03 40.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' CA ' ' O ' ' A' ' 26' ' ' MET . 34.5 ptt180 -36.48 -29.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.5 t80 -54.7 -48.8 72.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -38.32 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' HB3' ' NE ' ' A' ' 62' ' ' ARG . . . 57.43 37.39 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -134.99 89.74 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.88 58.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 37.3 t -86.15 153.92 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' SER . 6.6 mm-40 -33.1 -42.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.31 -50.94 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.1 mm-40 -53.73 -54.05 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HB2' HD22 ' A' ' 51' ' ' LEU . 12.8 mttt -56.01 -60.56 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' A' ' 51' ' ' LEU . 4.4 tp60 -51.73 -34.61 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.3 ttp -68.37 -52.82 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -48.1 -23.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.06 -36.31 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -32.85 18.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.8 p -89.19 -24.06 22.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 0.1 OUTLIER 67.38 30.45 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 14' ' ' LEU . 20.4 mt -101.22 -177.25 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLN . 58.1 m -106.34 137.45 44.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.582 HD11 ' OE1' ' A' ' 41' ' ' GLN . 39.1 mt -38.31 -38.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 tp -64.39 -48.45 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' SER . 30.5 mt-30 -65.0 -41.24 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -49.27 -68.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -56.37 -45.96 80.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -49.01 -38.62 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -74.65 -41.63 59.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -57.42 -31.98 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.39 -69.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -55.92 -28.36 56.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.737 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -75.76 -42.29 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.469 ' NE ' ' HB3' ' A' ' 33' ' ' ALA . 57.5 ttt-85 -66.96 -0.9 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -103.35 -25.7 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -125.67 -43.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.737 HD12 ' HB1' ' A' ' 61' ' ' ALA . 8.4 mt -67.03 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.758 ' O ' HD23 ' A' ' 70' ' ' LEU . 12.3 tp -45.71 -54.01 17.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.79 -9.02 25.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 14.8 t0 -90.05 -38.67 13.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 21.9 ptp -73.81 -44.02 57.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 66' ' ' LEU . 3.3 mm? -40.63 -43.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -48.85 176.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 61.88 44.27 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -140.95 150.72 43.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.2 31.83 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -71.68 114.37 9.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -108.55 146.72 34.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.72 18.24 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -104.21 158.92 16.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.97 160.19 0.54 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 2.82 3.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 t -40.17 98.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.5 m -167.0 144.55 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -166.59 147.26 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t -165.61 139.81 4.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.09 161.54 29.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -172.08 139.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -131.67 -61.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.12 140.49 6.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -101.64 90.92 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -102.96 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.34 28.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -118.84 155.42 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.02 132.16 7.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.466 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -117.4 167.68 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 49' ' ' LEU . 5.1 mt -100.07 148.13 34.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.79 142.82 48.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.387 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.19 -67.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 21' ' ' ILE . 22.6 tt0 -35.13 -57.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.478 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.9 t -59.63 -47.18 86.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.4 t -52.33 -53.67 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -39.25 -40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.7 mp -62.7 -50.35 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CD2' HD13 ' A' ' 43' ' ' LEU . 91.9 mt -68.74 -54.83 13.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -46.76 -61.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -39.13 -43.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 34.6 t90 -74.48 -40.85 61.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -55.99 -29.32 60.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.71 -51.89 55.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -57.06 -49.33 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 8.3 m-70 -90.74 4.01 52.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 27.6 ptt-85 -36.33 -41.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 37.7 m-85 -43.88 -49.95 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 10.0 ptpt -98.2 -45.34 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.644 ' HB1' ' HG2' ' A' ' 62' ' ' ARG . . . 72.43 50.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.455 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 43.8 m-85 -161.15 104.96 1.24 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.636 0.731 . . . . 0.0 110.977 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.43 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.74 166.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.6 m -98.77 153.45 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -40.11 -25.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mp0 -86.22 -47.83 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -50.73 -50.42 55.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -56.78 -66.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -43.28 -28.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.3 ttp -77.11 -48.99 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' CD2' ' A' ' 22' ' ' LEU . 5.7 mt -65.38 -44.22 88.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -49.54 -23.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.96 -43.69 52.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -75.86 -41.02 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -81.71 -22.6 37.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 71.2 29.3 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 14' ' ' LEU . 9.8 mt -103.85 -174.61 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 6.0 m -114.41 134.84 54.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.639 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.9 mp -33.34 -40.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.5 tp -57.73 -48.46 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.1 mt-30 -72.54 -31.16 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.37 -68.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 t -57.07 -48.76 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.804 ' HA ' HD12 ' A' ' 59' ' ' ILE . 3.4 m120 -49.08 -40.93 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.409 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 34.6 t90 -65.03 -45.67 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -54.5 -37.62 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 56' ' ' ASN . 55.1 mt -51.08 -64.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.94 -30.16 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.691 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -63.9 -38.92 92.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.644 ' HG2' ' HB1' ' A' ' 33' ' ' ALA . 15.6 mtp-105 -69.87 -0.16 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 46.4 mtt180 -103.36 -23.91 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -125.38 -43.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.691 HD12 ' HB1' ' A' ' 61' ' ' ALA . 25.9 mt -72.91 -62.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.649 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 2.6 tp -41.09 -51.7 7.49 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 -21.12 33.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' ILE . 2.4 m-20 -82.06 -35.63 28.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.8 ptp -89.25 -36.03 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 tp -68.51 -48.91 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -44.03 112.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -121.53 102.56 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -47.04 -50.97 18.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -56.15 146.77 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -93.66 118.66 31.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.51 145.56 31.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.532 0.682 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 87.15 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.3 t -88.93 152.91 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.49 76.75 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.97 32.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 p -150.07 152.43 34.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.3 p -145.11 164.77 30.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -118.5 130.35 55.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 t -124.24 -51.59 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.57 164.12 24.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -127.91 150.92 49.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -164.09 125.17 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.8 124.62 8.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -142.05 158.7 43.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.344 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -106.9 122.86 47.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -162.3 150.43 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.72 159.78 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.07 144.51 3.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -98.52 140.75 32.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.652 HD12 ' CD1' ' A' ' 57' ' ' TRP . 10.5 mt -77.03 149.92 80.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.657 0.741 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 134.33 27.74 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.02 -59.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 21' ' ' ILE . 23.8 tt0 -41.05 -52.26 3.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.575 ' HA ' HD13 ' A' ' 21' ' ' ILE . 67.3 m -70.49 -32.73 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 15' ' ' PRO . 98.0 t -61.49 -52.31 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -39.27 -43.77 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.0 mp -58.39 -47.05 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.54 -53.88 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -48.28 -60.56 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -39.15 -41.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.657 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 67.5 t90 -74.54 -51.9 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.3 ttt -48.07 -22.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 20.1 t80 -70.46 -49.56 47.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.7 -36.86 82.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.657 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.1 m-70 -100.47 4.21 43.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 27' ' ' TYR . 5.4 ptm180 -36.19 -34.07 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.2 m-30 -55.45 -49.45 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -95.85 -47.1 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 71.27 51.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.529 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 91.7 m-85 -163.03 105.01 1.01 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.729 0.776 . . . . 0.0 110.931 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.76 166.52 27.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 38' ' ' GLU . 75.4 m -102.58 153.42 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -37.11 -29.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' SER . 25.5 mt-10 -80.62 -47.31 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -54.29 -54.05 45.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -52.15 -61.07 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.722 ' OE1' HD11 ' A' ' 51' ' ' LEU . 17.2 tp60 -52.35 -31.44 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.9 ttp -70.42 -51.88 26.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.99 -41.24 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -48.92 -22.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -76.72 -41.73 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.84 -33.57 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -92.53 -21.29 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.97 38.13 8.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.587 ' CD2' HD22 ' A' ' 14' ' ' LEU . 13.4 mt -107.92 -178.24 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.3 m -105.75 134.4 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.722 HD11 ' OE1' ' A' ' 41' ' ' GLN . 73.3 mt -34.91 -39.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.9 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' SER . 27.4 mt-30 -64.53 -40.9 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.7 mm -49.96 -67.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -55.51 -43.71 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -54.23 -39.4 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.652 ' CD1' HD12 ' A' ' 14' ' ' LEU . 6.6 t90 -72.04 -31.11 65.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 10.7 m-85 -69.22 -31.32 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.6 -70.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.81 -42.9 76.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.749 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -58.71 -41.43 86.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.544 ' HG3' HD22 ' A' ' 66' ' ' LEU . 62.6 ttp85 -63.65 -4.35 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 38.7 mtm180 -90.62 -31.85 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.34 -43.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.749 HD12 ' HB1' ' A' ' 61' ' ' ALA . 3.3 mt -60.27 -62.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.652 ' O ' HD13 ' A' ' 70' ' ' LEU . 7.0 tp -44.86 -55.71 10.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.73 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.8 Cg_endo -69.74 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.18 -33.1 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.441 ' HE3' HG22 ' A' ' 65' ' ' ILE . 11.6 ptp -75.5 -24.06 56.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 66' ' ' LEU . 8.8 mp -67.67 -46.38 72.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -50.57 161.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.48 126.59 10.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 74' ' ' ARG . 5.5 tpt180 -148.85 163.18 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' ARG . 15.9 ttm180 -37.81 -65.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.1 p30 -51.49 159.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -101.93 105.39 41.57 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.04 32.07 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -54.66 148.53 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.42 69.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 135.29 30.18 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.5 t -107.18 154.12 21.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 t -40.02 -53.44 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.518 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -115.46 88.33 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -147.16 171.3 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.35 137.98 5.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 m -163.11 148.66 11.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p -170.62 162.1 7.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.85 130.69 1.43 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -151.12 173.09 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -153.74 119.36 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -143.29 159.61 42.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -127.78 171.07 12.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.57 171.18 21.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -76.21 175.41 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.575 HD12 ' CD1' ' A' ' 57' ' ' TRP . 5.7 mt -108.52 151.49 41.63 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' VAL . 54.0 Cg_endo -69.75 133.85 26.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.388 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -35.12 -64.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 21' ' ' ILE . 12.6 tt0 -37.02 -53.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.563 ' HA ' HD13 ' A' ' 21' ' ' ILE . 67.7 m -68.13 -35.06 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' ALA . 87.9 t -59.21 -50.99 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -41.29 -44.5 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.59 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.0 mp -58.98 -44.72 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 73.7 mt -71.5 -55.83 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' ASP . 39.2 mtp180 -48.8 -59.27 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 8.8 t0 -37.65 -46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.544 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 24.6 t90 -73.9 -39.59 63.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.483 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 4.2 ttm -60.83 -26.31 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -71.16 -53.73 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -60.92 -40.99 95.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.544 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 58.9 m80 -96.51 3.26 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' CA ' ' O ' ' A' ' 26' ' ' MET . 24.3 ptt180 -39.68 -37.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' ARG . 23.3 m-85 -34.82 -40.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -120.46 -27.56 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 58.78 50.5 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 38.4 m-85 -157.8 105.03 1.77 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.9 Cg_endo -69.73 171.93 13.54 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.3 t -110.41 153.1 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . 66.6 mt-10 -35.86 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -80.12 -49.06 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.4 mm-40 -54.55 -49.96 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -57.33 -64.11 1.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -44.8 -27.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -79.43 -49.45 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.51 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.69 -28.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.68 -38.78 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -77.54 -35.69 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 18' ' ' SER . 70.9 p -94.18 -20.81 19.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 8.4 m120 69.45 35.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.575 ' CD1' HD22 ' A' ' 14' ' ' LEU . 12.9 mt -111.23 -174.81 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' LEU . 18.0 m -112.43 135.89 52.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.667 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.6 mp -33.94 -42.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.06 -52.17 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' SER . 22.9 mt-30 -68.21 -32.12 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.27 -66.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -54.24 -53.96 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.53 ' HA ' HD12 ' A' ' 59' ' ' ILE . 15.3 m-80 -47.38 -37.93 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.575 ' CD1' HD12 ' A' ' 14' ' ' LEU . 42.5 t90 -67.0 -52.52 41.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 17.4 m-85 -47.0 -32.52 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 56' ' ' ASN . 63.8 mt -66.71 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.68 -16.8 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.715 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -81.66 -51.88 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.509 ' HB2' HD22 ' A' ' 66' ' ' LEU . 2.6 ptt85 -69.38 -1.13 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 11.6 mtp-105 -91.52 -27.4 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.34 -6.85 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.715 HD12 ' HB1' ' A' ' 61' ' ' ALA . 43.1 mt -110.48 -40.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.713 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.2 tp -50.79 -47.45 85.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.83 -18.37 36.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 2.2 m-20 -81.06 -50.03 10.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.446 ' HE3' ' SD ' ' A' ' 26' ' ' MET . 18.6 ptp -60.13 -46.61 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 66' ' ' LEU . 4.0 mm? -55.68 -25.48 39.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 47.7 mm-40 -39.39 159.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 73' ' ' ARG . 16.4 mm-40 74.58 54.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 72' ' ' GLN . 80.7 mtt85 -34.96 150.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ARG . 14.0 ttm180 -37.08 136.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -115.67 -57.08 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.56 139.65 21.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 124.03 10.69 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' GLY . 70.2 p -107.35 151.65 25.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -35.66 145.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 0.0 112.345 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.3 p -166.06 172.26 11.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 m -99.36 145.38 27.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.534 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -48.67 111.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -144.82 153.34 41.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.06 132.81 1.58 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -170.47 148.6 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -101.28 99.64 10.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.57 -158.07 34.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' LYS . 13.7 tptt -130.7 134.54 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LYS . 33.4 tttm -37.34 116.85 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -105.05 -45.93 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -125.24 -176.27 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.25 -90.36 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -79.34 174.57 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -85.56 152.64 57.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.603 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.75 135.95 31.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.349 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -36.74 -64.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.06 -51.64 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' HD13 ' A' ' 21' ' ' ILE . 56.0 m -72.0 -35.63 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 15' ' ' PRO . 59.9 t -59.86 -52.76 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -38.82 -38.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 18' ' ' SER . 4.1 mp -64.12 -43.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' VAL . 95.8 mt -74.97 -48.47 24.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' HG21 ' A' ' 65' ' ' ILE . 44.1 mtm180 -53.95 -59.88 4.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -39.78 -46.95 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.576 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 19.6 t90 -71.84 -37.3 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -60.57 -30.4 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.79 -49.85 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -60.5 -47.1 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.576 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 50.6 m80 -93.56 3.54 55.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.4 ptt180 -40.4 -33.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ARG . 22.2 m-85 -37.98 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' CB ' ' HG3' ' A' ' 62' ' ' ARG . . . 59.5 51.57 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -159.83 104.98 1.44 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.76 167.0 25.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.2 t -105.2 151.92 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' SER . 47.3 mm-40 -34.88 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' SER . 9.2 mt-10 -78.21 -48.03 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 40.7 mm-40 -54.45 -52.64 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' HB2' HD13 ' A' ' 51' ' ' LEU . 18.8 mttt -55.0 -66.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.574 ' NE2' HD21 ' A' ' 51' ' ' LEU . 7.0 tp60 -44.33 -27.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ttp -79.02 -49.35 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.62 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t -51.66 -22.71 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -78.48 -40.57 35.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 21' ' ' ILE . 15.2 mtpt -76.8 -41.02 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 18' ' ' SER . 71.3 p -85.31 -26.92 26.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t30 74.47 34.67 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 14' ' ' LEU . 11.3 mt -106.59 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -107.1 141.34 38.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.574 HD21 ' NE2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -45.15 -26.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 19.0 tp -74.12 -42.48 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.86 -33.18 65.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -57.01 -69.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -52.77 -46.11 67.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 3.3 m120 -51.88 -48.42 64.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.463 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 47.0 t90 -57.74 -47.99 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 18.1 m-85 -52.57 -31.83 37.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -55.37 -72.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -69.65 -19.46 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.897 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -80.35 -27.19 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.436 ' HG3' ' CB ' ' A' ' 33' ' ' ALA . 43.1 ttp85 -79.32 -14.45 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -105.3 -4.93 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -125.77 -43.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 ' HB1' ' A' ' 61' ' ' ALA . 10.0 mt -82.95 -66.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 15.2 tp -34.93 -53.72 1.06 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -31.05 21.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' ILE . 14.5 t70 -72.44 -28.69 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.664 ' HE2' HG22 ' A' ' 65' ' ' ILE . 17.5 ptp -91.57 -31.71 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 66' ' ' LEU . 10.8 mt -63.93 -45.72 87.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.42 ' C ' ' OE1' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -58.74 -33.84 70.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -63.08 143.85 57.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -52.64 173.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -138.93 157.18 46.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -129.69 46.73 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.5 122.19 22.64 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.595 0.712 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -178.15 2.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.1 t -62.71 118.07 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.71 -72.44 0.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 172.15 13.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.301 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 m -107.57 144.54 34.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.4 p -163.47 148.97 11.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.2 154.98 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -110.02 -52.55 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.14 -165.14 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.5 p -121.96 174.64 6.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.387 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -147.77 158.88 44.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.6 133.35 2.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -149.89 128.2 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.8 18.11 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.48 119.75 34.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -68.6 154.77 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.29 134.02 2.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -43.64 146.53 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 49' ' ' LEU . 7.0 mt -77.39 151.13 80.58 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.54 40.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.602 2.202 . . . . 0.0 112.353 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -42.49 -63.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.24 -47.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 37.7 m -73.93 -47.08 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.796 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.7 t -48.42 -49.89 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -38.3 -40.0 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -65.11 -47.95 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD23 HD13 ' A' ' 43' ' ' LEU . 70.8 mt -69.06 -54.27 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.785 ' HE ' HD13 ' A' ' 65' ' ' ILE . 69.1 mtt180 -49.31 -58.12 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -38.79 -48.29 1.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.546 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 18.1 t90 -75.4 -36.84 60.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.497 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -64.23 -27.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.96 -57.17 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.546 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 57.5 m80 -91.93 3.43 55.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' CA ' ' O ' ' A' ' 26' ' ' MET . 26.0 ptt-85 -40.69 -40.15 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 15.5 m-85 -37.66 -41.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 1.3 ptpt -112.83 -31.02 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.55 31.61 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 46.4 m-85 -133.94 92.01 23.24 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.689 0.757 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.455 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.74 166.11 28.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.3 t -104.47 151.69 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.7 mt-10 -35.54 -31.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.6 mp0 -76.39 -50.52 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 62.1 mm-40 -54.59 -52.01 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.0 mttt -54.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.78 ' OE1' HD11 ' A' ' 51' ' ' LEU . 52.0 tp60 -45.66 -41.77 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ttp -59.73 -52.04 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.546 HD13 HD23 ' A' ' 22' ' ' LEU . 11.2 mt -64.04 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -53.93 -23.69 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.75 -36.81 62.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -82.01 -41.04 21.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.8 p -85.66 -12.86 50.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.95 32.57 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.585 ' HB2' HD11 ' A' ' 54' ' ' ILE . 20.6 mt -99.49 -175.39 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLN . 56.6 m -112.43 136.68 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 41' ' ' GLN . 49.6 mt -35.14 -47.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 22.1 tp -55.98 -47.82 76.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.6 mt-30 -65.69 -39.03 90.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 49' ' ' LEU . 47.2 mm -56.14 -69.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -54.68 -46.06 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.495 ' HA ' HD12 ' A' ' 59' ' ' ILE . 2.6 m120 -51.84 -44.02 63.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.601 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 28.3 t90 -66.07 -42.39 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' O ' ' N ' ' A' ' 62' ' ' ARG . 10.6 m-85 -55.86 -41.27 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 56' ' ' ASN . 75.4 mt -52.05 -72.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.07 -30.68 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -74.58 -21.9 59.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 58' ' ' PHE . 12.3 ttp-105 -81.12 -15.05 57.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -107.56 -2.16 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 39.4 ttt-85 -126.74 -43.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.785 HD13 ' HE ' ' A' ' 23' ' ' ARG . 3.0 mt -84.85 -61.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.655 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 18.4 tp -40.49 -51.17 6.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 -21.38 33.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.2 t70 -83.63 -36.02 24.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 12.1 ptp -70.67 -45.6 64.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 2.0 mp -46.59 -54.52 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -79.74 76.59 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -129.42 146.16 51.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -62.94 140.52 58.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.9 mtm-85 -77.94 84.47 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -68.65 168.91 12.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -125.37 88.84 53.56 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 121.26 7.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.2 p -70.68 124.98 25.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -131.91 145.59 17.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 178.57 4.47 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -119.88 -43.4 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.8 t -160.67 156.18 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -119.44 158.46 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 4' ' ' GLY . 7.0 m -157.35 170.34 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.03 63.85 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 m -55.76 -42.76 75.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -167.34 168.96 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.07 80.02 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -150.05 112.58 4.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -120.41 64.38 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -114.49 174.6 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.63 144.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.49 168.84 31.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -109.87 168.44 9.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD22 HD22 ' A' ' 49' ' ' LEU . 8.2 mt -117.72 151.82 49.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.06 -64.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 21' ' ' ILE . 5.1 pt-20 -35.0 -54.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 21' ' ' ILE . 12.9 m -67.52 -40.69 85.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' LEU . 71.2 t -56.1 -53.08 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -37.96 -42.84 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -63.19 -43.23 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 54' ' ' ILE . 93.7 mt -74.53 -57.28 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -45.56 -50.48 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -45.71 -43.36 12.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.551 ' CE2' ' ND1' ' A' ' 29' ' ' HIS . 43.9 t90 -76.38 -40.03 52.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.464 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.5 ttt -60.87 -24.09 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 69' ' ' MET . 1.9 t80 -76.13 -55.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -60.41 -36.79 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.551 ' ND1' ' CE2' ' A' ' 25' ' ' TRP . 60.0 m80 -100.81 4.49 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 27' ' ' TYR . 2.6 ptp85 -35.94 -35.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.7 m-85 -40.77 -46.5 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.39 -29.85 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.09 37.85 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.418 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 20.1 m-85 -134.99 93.8 16.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.879 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.08 66.22 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' GLU . 49.7 m -87.96 155.22 19.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 33.4 mt-10 -36.63 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -79.99 -49.5 11.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' SER . 72.9 mm-40 -53.02 -51.1 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.15 -66.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.487 ' CD ' HD21 ' A' ' 51' ' ' LEU . 2.7 tp60 -44.23 -34.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.6 ttp -67.68 -49.8 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.55 -23.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.71 -45.25 53.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -75.45 -35.57 60.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 p -91.8 -16.6 26.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.3 m-20 61.42 36.69 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.529 HD22 HD22 ' A' ' 14' ' ' LEU . 18.2 mt -105.58 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLN . 9.0 m -110.76 135.94 50.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD21 ' CD ' ' A' ' 41' ' ' GLN . 75.5 mt -35.32 -39.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 tp -63.01 -46.22 88.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.8 mt-30 -65.44 -41.12 93.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.542 HD12 HD21 ' A' ' 22' ' ' LEU . 29.8 mm -51.68 -69.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -55.69 -49.72 72.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -47.96 -37.05 13.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -72.37 -42.06 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -57.91 -36.32 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.16 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -60.85 -36.81 80.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.856 ' CB ' HD12 ' A' ' 65' ' ' ILE . . . -63.25 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 13.4 mtp-105 -66.48 -1.58 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -103.97 -25.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -126.67 -43.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.856 HD12 ' CB ' ' A' ' 61' ' ' ALA . 80.1 mt -69.86 -56.92 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.628 HD12 HD23 ' A' ' 70' ' ' LEU . 6.0 tp -47.83 -53.59 30.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.79 3.32 2.85 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -96.1 -54.92 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.575 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 20.1 ptp -68.93 -34.94 76.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.628 HD23 HD12 ' A' ' 66' ' ' LEU . 2.5 mm? -57.72 -53.68 55.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 72' ' ' GLN . 77.6 mt-30 -35.96 134.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 71' ' ' GLN . 32.2 mt-30 -34.92 133.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -117.18 172.48 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -46.67 -58.1 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -160.78 157.6 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.74 94.34 12.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 110.63 2.61 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.322 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.6 t -95.86 159.28 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.7 84.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -178.16 2.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.1 m -148.76 172.59 14.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.9 m -168.11 172.64 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -160.03 136.92 9.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -164.98 174.81 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.5 102.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -170.89 130.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.911 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -139.98 137.34 34.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.13 98.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -166.07 108.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -171.68 150.88 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -164.35 140.37 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -101.64 145.32 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.36 149.28 7.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -112.5 143.35 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.482 HD22 HD22 ' A' ' 49' ' ' LEU . 3.8 mt -80.79 152.11 71.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.77 137.23 34.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -34.69 -65.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -34.97 -45.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 m -77.11 -36.87 55.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 16' ' ' ALA . 55.9 t -60.48 -52.63 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -38.18 -39.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.4 mp -65.6 -45.02 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' VAL . 79.9 mt -73.09 -54.9 7.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' HE ' HD13 ' A' ' 65' ' ' ILE . 51.6 mtt180 -47.82 -58.51 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.81 -38.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.607 ' NE1' ' CE1' ' A' ' 29' ' ' HIS . 59.4 t90 -77.86 -49.23 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.504 ' SD ' ' HE1' ' A' ' 69' ' ' MET . 7.8 ttm -52.38 -22.97 5.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.07 -62.16 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.28 -34.19 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.607 ' CE1' ' NE1' ' A' ' 25' ' ' TRP . 55.5 m80 -101.32 4.02 41.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' HIS . 3.0 ptm180 -36.21 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' HIS . 5.6 m-85 -47.21 -49.72 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.9 ptpp? -105.56 -46.74 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 32' ' ' LYS . . . 72.73 52.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 53.4 m-85 -161.2 104.98 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.739 0.78 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 170.43 16.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.376 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.6 t -109.57 154.17 23.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' SER . 18.0 mt-10 -36.49 -29.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 36' ' ' SER . 18.6 mm-40 -80.82 -48.53 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.3 mm-40 -55.16 -53.53 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -52.5 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HA ' HD21 ' A' ' 51' ' ' LEU . 2.2 tp60 -46.53 -35.23 5.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.2 ttp -69.5 -51.46 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.48 -44.57 95.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -47.91 -25.99 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -73.66 -40.11 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -79.09 -41.2 29.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.6 p -86.31 -18.53 31.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' SER . 3.4 m120 65.04 28.77 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD22 HD22 ' A' ' 14' ' ' LEU . 15.4 mt -97.69 -174.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.9 m -109.2 138.85 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 41' ' ' GLN . 58.4 mt -38.99 -39.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.99 -48.28 79.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.74 -39.94 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -53.9 -68.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -53.74 -41.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 59' ' ' ILE . 68.3 m-20 -54.93 -55.24 32.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 57.2 t90 -51.52 -42.31 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 11.7 m-85 -57.86 -35.43 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 56' ' ' ASN . 76.4 mt -50.94 -71.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.76 -41.91 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.88 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -56.32 -33.59 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.735 ' HG3' HD22 ' A' ' 66' ' ' LEU . 53.7 ttt-85 -78.18 -7.72 57.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 37.6 mtp180 -105.2 -9.48 17.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -127.07 -43.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.88 HD12 ' HB1' ' A' ' 61' ' ' ALA . 17.8 mt -78.8 -59.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' A' ' 62' ' ' ARG . 37.5 tp -45.08 -50.32 27.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.957 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.668 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.75 -14.54 36.26 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.86 -20.01 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' MET . . . . . 0.504 ' HE1' ' SD ' ' A' ' 26' ' ' MET . 15.4 ptp -95.54 -40.44 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.522 HD23 HD12 ' A' ' 66' ' ' LEU . 3.8 mm? -60.08 -41.74 93.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 53.36 33.65 16.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -85.89 -48.99 8.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -141.37 148.31 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.79 142.05 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.1 p30 -52.74 138.22 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -124.27 148.48 58.07 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.603 0.715 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.3 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -88.13 129.15 35.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.411 ' N ' ' HD2' ' A' ' 80' ' ' PRO . . . -74.43 -63.32 2.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 79' ' ' GLY . 53.6 Cg_endo -69.82 86.78 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.4 p -118.92 -49.4 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -65.29 137.2 57.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.75 HD22 ' CD2' ' A' ' 49' ' ' LEU . 10.8 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.1 Cg_endo -69.72 130.57 19.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.748 2.299 . . . . 0.0 112.377 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.62 -66.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.8 tp10 -34.9 -43.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 m -75.86 -47.45 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.526 HG12 ' HE ' ' A' ' 23' ' ' ARG . 95.4 t -48.97 -46.98 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -39.42 -42.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.0 mp -60.14 -45.12 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 HD13 ' A' ' 43' ' ' LEU . 73.2 mt -71.17 -50.71 30.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HE ' HG12 ' A' ' 19' ' ' VAL . 49.0 mtm180 -54.0 -60.86 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' ARG . 11.6 t70 -36.68 -40.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.744 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 42.1 t90 -79.4 -42.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.8 ttt -58.42 -24.73 60.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -71.6 -64.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -53.13 -35.05 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.744 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 92.3 m-70 -99.66 3.3 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.6 ptt180 -37.06 -33.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 49.7 m-85 -40.36 -48.48 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -116.76 -23.66 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.45 35.3 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CE2' ' NH2' ' A' ' 62' ' ' ARG . 48.6 m-85 -134.99 96.12 14.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 167.54 24.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.325 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' GLU . 23.0 m -106.82 154.11 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' SER . 26.0 mt-10 -35.88 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.1 mp0 -76.6 -50.9 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.7 mm-40 -55.41 -51.19 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 16.2 mttt -56.55 -61.2 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.766 ' OE1' HD11 ' A' ' 51' ' ' LEU . 10.3 tp60 -48.98 -33.31 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ttp -68.93 -51.28 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.484 HD13 HD23 ' A' ' 22' ' ' LEU . 5.2 mt -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -50.77 -24.83 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -74.77 -34.49 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -84.77 -40.16 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -83.65 -26.54 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.0 t30 73.13 37.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.75 ' CD2' HD22 ' A' ' 14' ' ' LEU . 11.6 mt -109.76 -174.9 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' GLN . 21.4 m -109.57 133.94 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.766 HD11 ' OE1' ' A' ' 41' ' ' GLN . 48.3 mt -34.25 -42.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 23.4 tp -59.49 -47.78 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' SER . 28.7 mt-30 -65.55 -41.07 93.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 49' ' ' LEU . 50.3 mm -50.42 -68.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -54.44 -44.85 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 46.2 m-20 -51.52 -47.47 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.443 ' CZ2' ' CD1' ' A' ' 65' ' ' ILE . 48.4 t90 -61.07 -41.47 96.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -57.75 -40.39 79.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.2 mt -49.1 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -64.16 -34.38 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -60.57 -34.35 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' CE2' ' A' ' 34' ' ' TYR . 12.1 mtp-105 -74.74 -0.5 18.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -103.5 -18.59 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -125.35 -43.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.964 HD12 ' HB1' ' A' ' 61' ' ' ALA . 60.3 mt -76.35 -65.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.636 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.4 tp -40.37 -52.23 5.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.72 -21.49 33.62 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.352 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ILE . 1.2 t0 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.657 HD22 HD13 ' A' ' 49' ' ' LEU . 8.7 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 121.583 0.706 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.79 133.79 26.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.82 -65.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 21' ' ' ILE . 20.8 tt0 -35.95 -46.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.463 ' HA ' HD13 ' A' ' 21' ' ' ILE . 73.3 m -73.58 -42.24 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' LEU . 84.1 t -53.58 -53.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -39.1 -38.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 18' ' ' SER . 3.7 mp -64.76 -44.22 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.187 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.486 ' CD2' HD13 ' A' ' 43' ' ' LEU . 75.6 mt -73.58 -52.82 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -49.88 -57.28 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -39.42 -49.76 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.733 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 31.0 t90 -71.32 -41.22 70.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.9 ttt -60.62 -24.18 65.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -72.47 -51.83 18.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -63.37 -41.67 98.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.733 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 77.2 m-70 -96.29 3.68 52.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' CA ' ' O ' ' A' ' 26' ' ' MET . 33.7 ptt-85 -36.73 -38.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 25.0 m-85 -35.21 -44.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' CG ' ' H ' ' A' ' 34' ' ' TYR . 2.1 ptpt -118.04 -23.05 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.23 31.68 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.409 ' H ' ' CG ' ' A' ' 32' ' ' LYS . 22.6 m-85 -134.99 93.98 16.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.6 Cg_endo -69.81 172.09 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' GLU . 83.5 p -107.97 154.01 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.0 tt0 -36.3 -31.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.7 mp0 -74.54 -51.73 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' SER . 71.2 mm-40 -54.47 -53.87 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.55 -64.14 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.724 ' HA ' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.88 -41.13 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.0 ttp -63.46 -51.46 65.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 22' ' ' LEU . 12.9 mt -60.96 -46.56 90.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.5 p -46.73 -31.09 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.2 -38.44 81.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -82.05 -35.64 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.8 p -88.19 -15.15 36.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' SER . 90.1 m-20 62.43 36.82 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.657 HD13 HD22 ' A' ' 14' ' ' LEU . 19.5 mt -111.38 -179.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.7 m -103.82 135.5 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 ' HA ' ' A' ' 41' ' ' GLN . 97.2 mt -38.48 -34.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 tp -65.33 -47.09 77.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.6 mt-30 -67.41 -40.95 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -49.38 -69.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 t -51.28 -49.78 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.579 ' HA ' HD12 ' A' ' 59' ' ' ILE . 69.9 m-20 -44.44 -41.94 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.501 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 75.4 t90 -68.68 -39.28 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 12.9 m-85 -64.03 -30.61 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 56' ' ' ASN . 84.0 mt -61.27 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -29.62 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -66.92 -50.63 61.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.528 ' HG2' HD23 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.98 -1.72 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -103.87 -27.74 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.07 -43.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 61' ' ' ALA . 21.6 mt -69.11 -50.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.606 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.1 tp -49.32 -54.21 32.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.72 -5.0 15.13 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.499 HD22 HD22 ' A' ' 49' ' ' LEU . 2.0 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 134.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.64 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 21' ' ' ILE . 8.3 tt0 -35.72 -53.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.409 ' HA ' HD13 ' A' ' 21' ' ' ILE . 10.3 p -66.28 -39.08 89.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 97.4 t -56.94 -52.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -39.58 -41.57 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.9 mp -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 75.3 mt -70.84 -54.95 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.585 ' HG2' HG21 ' A' ' 65' ' ' ILE . 9.4 mtp-105 -48.75 -60.87 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 3.7 t70 -37.32 -46.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.752 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 32.5 t90 -72.91 -41.6 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.1 ttm -60.57 -25.67 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -68.62 -51.64 40.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -61.78 -46.08 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.752 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 66.9 m-70 -92.02 3.4 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.3 ptt-85 -36.82 -41.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 3.1 m-85 -37.78 -46.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -104.51 -32.97 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.766 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . . . 57.96 49.76 11.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 47.5 m-85 -160.58 104.95 1.32 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.967 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.9 Cg_endo -69.69 173.66 10.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.732 2.288 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 38' ' ' GLU . 1.5 t -112.67 151.59 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 29.7 tt0 -34.34 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -76.41 -49.95 15.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.0 mm-40 -54.09 -53.25 55.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -54.81 -58.69 6.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.25 -32.16 15.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ttp -75.11 -52.66 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.92 -44.04 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -47.54 -24.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.15 -39.16 55.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HB2' HG21 ' A' ' 21' ' ' ILE . 11.8 mtpt -79.84 -39.61 30.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -87.91 -16.35 34.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.2 t30 64.87 29.35 12.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.5 mt -103.14 -175.81 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLN . 54.6 m -115.82 136.89 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.64 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.7 mp -33.71 -40.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.81 -49.94 73.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.4 mt-30 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 49' ' ' LEU . 48.9 mm -63.59 -68.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 -50.04 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.682 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.6 m-20 -48.97 -47.49 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.57 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 57.7 t90 -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.0 m-85 -52.95 -31.38 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 56' ' ' ASN . 65.4 mt -59.82 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -66.39 -23.57 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -80.09 -27.49 39.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.766 ' HE ' ' HB3' ' A' ' 33' ' ' ALA . 39.1 ttt-85 -79.24 -11.85 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.421 ' C ' ' HG3' ' A' ' 67' ' ' PRO . 18.9 ptp180 -104.95 -6.77 19.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 29.1 ttp180 -125.45 -43.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.585 HG21 ' HG2' ' A' ' 23' ' ' ARG . 3.0 mt -79.52 -62.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.639 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 17.0 tp -42.38 -52.4 10.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.3 Cg_endo -69.7 -17.63 37.74 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 4.2 m-20 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 49' ' ' LEU . 3.5 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.3 Cg_endo -69.71 133.77 26.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.0 -65.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.1 tm-20 -35.71 -57.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.0 m -59.46 -45.88 90.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.546 HG12 ' HG3' ' A' ' 23' ' ' ARG . 60.2 t -53.58 -51.25 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' VAL . 1.5 tmtp? -37.04 -35.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.72 -43.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' VAL . 78.1 mt -74.85 -45.76 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.546 ' HG3' HG12 ' A' ' 19' ' ' VAL . 17.1 mtm105 -57.13 -56.37 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.73 -38.88 4.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.597 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 39.3 t90 -76.37 -44.09 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.493 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.1 ttm -52.51 -30.39 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.417 ' O ' ' CG ' ' A' ' 30' ' ' ARG . 3.0 t80 -68.32 -57.83 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -54.65 -48.88 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.597 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 9.0 m-70 -89.77 3.5 52.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.493 ' CA ' ' O ' ' A' ' 26' ' ' MET . 25.6 ptt180 -40.81 -33.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -38.47 -48.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -111.92 -17.65 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 50.63 51.15 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 50.0 m-85 -162.21 105.02 1.11 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 54.4 Cg_endo -69.72 171.67 14.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.396 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 53.2 m -109.1 151.58 26.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' SER . 3.5 mp0 -36.31 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 8.0 mm-40 -75.67 -48.42 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.4 mm-40 -57.45 -60.96 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -43.87 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.662 ' OE1' HD11 ' A' ' 51' ' ' LEU . 2.3 tp60 -53.7 -37.88 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 39' ' ' GLU . 9.5 tmm? -67.16 -52.81 36.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.71 -42.84 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.73 -27.25 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -71.99 -36.03 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -35.88 24.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 p -92.74 -15.88 26.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.9 m120 60.31 32.49 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 14' ' ' LEU . 14.8 mt -99.54 -175.59 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.9 m -107.61 136.24 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.662 HD11 ' OE1' ' A' ' 41' ' ' GLN . 60.0 mt -38.17 -35.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -66.46 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.2 mt-30 -64.72 -36.8 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 49' ' ' LEU . 47.9 mm -55.56 -67.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 t -55.03 -44.43 74.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -53.09 -51.33 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 51.8 t90 -55.33 -36.55 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.494 ' O ' ' NE ' ' A' ' 62' ' ' ARG . 12.2 m-85 -63.6 -19.97 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -71.4 -63.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -71.08 -28.47 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.95 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -70.57 -44.75 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 58' ' ' PHE . 13.2 mtm105 -68.24 -1.15 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 71.4 mtt180 -99.63 -28.38 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.45 -42.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.95 HD12 ' HB1' ' A' ' 61' ' ' ALA . 50.1 mt -69.45 -56.83 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 6.0 tp -46.51 -53.18 25.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.699 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.1 Cg_endo -69.82 -7.93 22.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 HD13 ' A' ' 49' ' ' LEU . 5.5 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.8 139.96 41.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.93 -64.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 21' ' ' ILE . 11.1 pt-20 -35.09 -51.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.539 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.3 t -69.49 -41.46 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ALA . 85.2 t -54.72 -52.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -39.89 -42.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -62.21 -46.46 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 54' ' ' ILE . 70.6 mt -70.84 -57.23 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -46.24 -52.39 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -44.15 -43.36 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.746 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 68.9 t90 -77.92 -49.51 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 2.8 ttt -54.33 -23.09 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -72.49 -62.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.746 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 86.9 m-70 -101.71 3.4 39.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' CA ' ' O ' ' A' ' 26' ' ' MET . 14.1 ptt85 -38.02 -35.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -41.35 -44.88 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -114.87 -32.61 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.03 25.14 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 56.6 m-85 -129.03 88.66 50.91 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.11 19.7 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 4.3 t -104.93 149.59 25.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.3 mt-10 -34.51 -32.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.8 mp0 -73.51 -51.74 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' SER . 17.0 mt-10 -58.3 -51.62 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB3' HG21 ' A' ' 54' ' ' ILE . 10.8 mttt -53.31 -54.13 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -48.94 -39.94 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 40' ' ' LYS . 8.0 mt -71.14 -36.27 72.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -53.8 -24.32 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.43 -43.46 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -30.64 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 p -97.77 -17.45 19.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.5 t-20 63.38 31.62 15.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.525 HD11 ' OG ' ' A' ' 18' ' ' SER . 10.9 mt -104.35 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLN . 20.1 m -115.38 135.61 53.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.7 mp -33.61 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 56' ' ' ASN . 27.2 tp -56.92 -47.69 80.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 23.2 mt-30 -72.38 -34.4 67.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 40' ' ' LYS . 45.9 mm -56.39 -69.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.7 t -56.32 -45.9 80.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.422 HD21 HD11 ' A' ' 52' ' ' LEU . 57.7 m-20 -48.71 -44.75 38.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -63.24 -41.62 99.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 26' ' ' MET . 12.6 m-85 -58.53 -42.51 87.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.2 mt -50.85 -67.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.937 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -54.17 -34.09 59.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HG3' ' CE ' ' A' ' 26' ' ' MET . 9.8 mtp-105 -69.48 -0.61 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 43.9 mtp180 -103.5 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -126.29 -43.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.937 HD12 ' HB1' ' A' ' 61' ' ' ALA . 12.4 mt -70.69 -61.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 7.3 tp -44.63 -54.04 13.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.2 Cg_endo -69.81 -11.21 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.228 . . . . 0.0 112.316 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.815 HD22 HD22 ' A' ' 49' ' ' LEU . 6.0 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.578 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.78 138.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -33.01 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 21' ' ' ILE . 3.2 tp10 -34.14 -47.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.456 ' HA ' HD13 ' A' ' 21' ' ' ILE . 9.4 m -74.88 -39.2 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 15' ' ' PRO . 20.7 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -38.11 -40.7 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.9 mp -60.7 -42.3 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 19' ' ' VAL . 85.2 mt -77.79 -46.68 20.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HD2' HG12 ' A' ' 19' ' ' VAL . 43.9 mtt-85 -55.18 -55.11 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -47.83 -39.67 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.746 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 41.6 t90 -76.57 -39.38 52.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -59.97 -25.98 65.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -69.98 -56.85 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -58.31 -38.7 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.746 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 85.6 m-70 -98.44 3.77 48.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 ptt180 -36.6 -41.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -39.08 -65.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -84.55 -41.35 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.49 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 65.58 48.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -159.22 105.0 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.934 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' GLU . 17.1 t -109.46 154.06 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -38.61 -26.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mm-40 -83.56 -44.09 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.7 mm-40 -60.92 -55.24 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.2 mttt -49.81 -60.14 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.784 ' OE1' HD11 ' A' ' 51' ' ' LEU . 4.2 tp60 -50.14 -37.59 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.7 ttp -66.2 -53.23 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.79 -38.31 84.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.7 t -54.28 -26.69 30.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -75.24 -39.8 59.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.44 -27.24 46.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.482 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 81.3 p -100.79 -20.35 15.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' SER . 18.7 t30 66.98 36.03 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.815 HD22 HD22 ' A' ' 14' ' ' LEU . 12.7 mt -104.29 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 22.7 m -109.04 134.47 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.784 HD11 ' OE1' ' A' ' 41' ' ' GLN . 40.5 mt -35.15 -41.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 56' ' ' ASN . 19.2 tp -62.24 -45.87 91.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 36.3 mt-30 -66.92 -37.96 85.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 40' ' ' LYS . 43.2 mm -55.25 -67.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -55.75 -50.95 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.404 HD21 HD11 ' A' ' 52' ' ' LEU . 38.4 m-20 -46.94 -44.87 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.535 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 61.5 t90 -62.94 -57.79 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.0 m-85 -43.1 -37.88 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -53.5 -72.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -43.96 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -60.79 -24.26 65.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.489 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 59.8 ttt-85 -79.2 -7.77 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -103.96 -11.76 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 11.5 mtp-105 -124.91 -42.77 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' A' ' 61' ' ' ALA . 2.7 mt -77.71 -63.66 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.619 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.4 tp -39.84 -52.92 4.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 2.2 m-20 . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 49' ' ' LEU . 17.6 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 121.651 0.739 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.5 Cg_endo -69.77 145.59 57.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.7 -61.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 14.3 pt-20 -36.21 -51.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -68.17 -49.27 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 15' ' ' PRO . 82.5 t -46.73 -46.82 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -40.26 -43.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 47' ' ' THR . 4.2 mp -61.97 -44.24 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.494 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 96.8 mt -71.82 -58.05 3.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 26.5 mtp180 -46.52 -55.19 7.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -40.4 -42.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.587 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 33.5 t90 -78.5 -42.38 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.708 ' HE2' ' HA ' ' A' ' 62' ' ' ARG . 3.4 ttt -57.22 -20.22 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -77.33 -52.06 9.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -62.24 -46.39 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 18.0 m-70 -92.12 3.64 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CA ' ' O ' ' A' ' 26' ' ' MET . 17.6 ptt85 -36.77 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' HIS . 20.6 m-85 -43.49 -45.63 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -112.65 -27.16 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.15 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 47.0 m-85 -131.03 91.44 36.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.675 0.75 . . . . 0.0 110.969 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.66 33.74 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' GLU . 40.8 t -102.83 150.46 23.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 20.4 mt-10 -35.66 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mt-10 -76.02 -49.18 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.9 mt-10 -56.96 -54.94 40.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.0 mttt -50.56 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.531 ' HB2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.87 -47.05 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 ttp -55.16 -41.72 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 40' ' ' LYS . 6.2 mt -75.04 -38.12 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -50.95 -28.9 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -74.12 -35.14 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -32.57 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 80.4 p -93.21 -12.27 30.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 62.03 30.46 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 14' ' ' LEU . 19.5 mt -103.2 -176.19 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' LEU . 19.4 m -105.39 133.95 49.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' A' ' 41' ' ' GLN . 12.2 mt -35.43 -38.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 ' ND2' ' A' ' 56' ' ' ASN . 57.2 tp -64.58 -54.93 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -57.48 -31.77 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 40' ' ' LYS . 21.3 mm -65.16 -62.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -52.24 -54.19 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.513 ' HA ' HD12 ' A' ' 59' ' ' ILE . 13.5 m-80 -49.88 -57.5 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.494 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 56.9 t90 -43.49 -52.34 6.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 62' ' ' ARG . 9.9 m-85 -50.63 -40.59 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 56' ' ' ASN . 66.3 mt -48.33 -72.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 m120 -63.42 -40.06 96.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.86 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -63.73 -23.82 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.708 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 52.1 ttt-85 -79.48 -14.76 58.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ptp180 -106.27 -3.61 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 48.5 ttp180 -126.35 -43.14 1.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.86 HD12 ' HB1' ' A' ' 61' ' ' ALA . 7.7 mt -82.41 -61.74 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.666 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.5 tp -42.52 -50.43 12.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.76 -19.57 35.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 25.6 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.502 HD22 HD13 ' A' ' 49' ' ' LEU . 3.8 mt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 138.96 39.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.49 -63.24 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 21' ' ' ILE . 27.8 tt0 -36.13 -55.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.574 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.8 t -66.39 -39.78 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.16 -53.7 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -39.61 -40.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.6 mp -64.18 -44.35 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.4 mt -74.53 -56.66 4.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -44.94 -57.17 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -41.47 -48.89 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.742 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 19.5 t90 -71.81 -36.94 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -63.87 -26.01 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -73.12 -53.26 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -63.78 -35.21 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.742 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 92.0 m-70 -101.93 3.64 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.6 ptt-85 -40.59 -28.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.0 m-30 -42.03 -53.78 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -102.8 -30.09 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 61.16 47.13 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 56.5 m-85 -160.71 104.97 1.3 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.674 0.75 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.76 166.29 28.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 43.8 t -99.98 151.75 20.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -37.1 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -83.31 -46.35 12.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.2 mm-40 -55.44 -51.0 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 43' ' ' LEU . 18.5 mttt -54.37 -65.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.518 ' OE1' HD11 ' A' ' 51' ' ' LEU . 6.7 tp60 -42.1 -38.22 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 ttp -64.59 -50.51 66.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 40' ' ' LYS . 5.1 mt -64.16 -44.55 91.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 t -46.66 -21.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.5 -41.24 40.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -78.92 -29.65 44.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.1 p -95.18 -29.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 73.38 35.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.502 HD13 HD22 ' A' ' 14' ' ' LEU . 8.0 mt -106.13 -174.88 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 5.0 m -107.65 134.89 49.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.518 HD11 ' OE1' ' A' ' 41' ' ' GLN . 91.5 mt -36.68 -37.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.412 HD11 HD21 ' A' ' 56' ' ' ASN . 40.6 tp -65.14 -45.66 84.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.7 mt-30 -68.27 -33.77 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.41 -68.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 t -56.26 -43.48 78.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.412 HD21 HD11 ' A' ' 52' ' ' LEU . 66.7 m-20 -55.1 -41.9 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.454 ' CD1' HD12 ' A' ' 14' ' ' LEU . 16.1 t90 -66.47 -43.06 86.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.1 m-85 -53.52 -36.79 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.39 -63.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -66.15 -29.52 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.644 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -79.13 -24.2 43.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.507 ' HG3' HD22 ' A' ' 66' ' ' LEU . 61.4 ttt-85 -77.58 -12.81 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -106.35 -4.71 19.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 23.4 ttp180 -125.96 -44.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.644 HD12 ' HB1' ' A' ' 61' ' ' ALA . 25.4 mt -84.02 -66.07 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.588 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 8.7 tp -33.53 -54.51 0.73 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -30.43 22.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ILE . 15.4 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' ' 57' ' ' TRP . 7.5 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.77 134.53 28.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -37.23 -61.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' SER . 10.3 pt-20 -38.95 -41.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 54.4 p -80.26 -44.96 18.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.549 HG12 ' HE ' ' A' ' 23' ' ' ARG . 69.5 t -52.56 -50.06 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -39.66 -43.08 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -59.48 -46.32 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 84.3 mt -71.02 -52.05 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HE ' HG12 ' A' ' 19' ' ' VAL . 51.1 mtm180 -51.87 -62.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 6.9 t70 -37.74 -38.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.755 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 52.4 t90 -79.16 -47.84 15.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.4 ttm -56.2 -23.39 35.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -70.74 -50.94 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.28 -35.22 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.755 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 80.2 m-70 -99.7 3.87 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' MET . 28.6 ptt180 -36.47 -40.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -39.62 -53.13 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -98.55 -36.79 9.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.46 49.07 5.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.409 ' OH ' ' NE ' ' A' ' 62' ' ' ARG . 43.7 m-85 -158.79 104.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.565 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 54.2 Cg_endo -69.75 166.01 29.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' GLU . 71.0 m -103.12 151.59 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' SER . 5.9 tt0 -35.41 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' SER . 21.0 mt-10 -79.29 -48.47 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.6 mm-40 -52.31 -54.41 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -53.91 -60.17 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.698 ' OE1' HD11 ' A' ' 51' ' ' LEU . 12.6 tp60 -52.44 -26.6 13.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.6 ttp -77.25 -51.07 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.65 -45.14 91.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 p -47.11 -26.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -76.94 -41.35 43.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -82.72 -17.92 42.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.59 38.55 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 HD22 ' A' ' 14' ' ' LEU . 11.1 mt -111.58 -176.27 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 p -108.4 143.02 37.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.698 HD11 ' OE1' ' A' ' 41' ' ' GLN . 92.4 mt -41.21 -38.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.526 HD11 HD21 ' A' ' 56' ' ' ASN . 27.2 tp -60.78 -51.03 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.52 -38.03 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.8 mm -53.36 -68.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.71 -40.66 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.526 HD21 HD11 ' A' ' 52' ' ' LEU . 41.4 m-20 -53.36 -37.67 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.516 ' CD1' HD12 ' A' ' 14' ' ' LEU . 28.7 t90 -72.08 -33.74 68.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 14.9 m-85 -63.56 -27.28 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.52 -64.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -32.91 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.877 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -67.55 -57.27 6.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.656 ' HG3' HD22 ' A' ' 66' ' ' LEU . 59.4 ttp85 -57.78 -9.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -86.3 -34.73 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 -44.4 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.877 HD12 ' HB1' ' A' ' 61' ' ' ALA . 43.8 mt -58.96 -58.17 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.656 HD22 ' HG3' ' A' ' 62' ' ' ARG . 9.9 tp -48.34 -56.07 15.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.74 -1.83 9.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 t0 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.905 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 49' ' ' LEU . 11.6 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.625 0.726 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 137.17 34.85 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.2 -63.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' ALA . 16.8 tt0 -35.11 -54.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -69.64 -49.53 52.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG1' ' HG3' ' A' ' 23' ' ' ARG . 69.4 t -45.64 -50.9 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -39.84 -41.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 mp -62.76 -48.1 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 58' ' ' PHE . 67.7 mt -70.04 -56.0 8.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.455 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 21.9 mtp180 -46.39 -57.07 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -39.98 -46.79 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 33.6 t90 -74.74 -42.25 58.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.492 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -60.24 -23.17 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -71.16 -51.83 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.47 -44.6 90.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 72.2 m-70 -92.2 3.47 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.492 ' CA ' ' O ' ' A' ' 26' ' ' MET . 37.2 ptt180 -37.29 -39.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.5 t80 -38.07 -48.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -107.03 -16.03 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.619 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 38.3 28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 44.1 m-85 -134.68 92.0 20.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.533 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.77 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 29.0 t -103.97 151.35 23.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' SER . 9.1 tt0 -34.3 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 49.1 mt-10 -69.27 -54.05 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mm-40 -55.27 -60.5 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.589 ' HB3' HG21 ' A' ' 54' ' ' ILE . 15.0 mttt -45.36 -58.11 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.64 ' HG2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -48.37 -49.96 32.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 43' ' ' LEU . 7.4 tmm? -54.67 -52.46 62.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 40' ' ' LYS . 5.0 mt -61.06 -38.32 85.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -52.34 -21.71 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.57 -39.51 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -79.54 -39.77 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -84.69 -11.58 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.38 31.0 17.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.6 ' CD1' HD22 ' A' ' 14' ' ' LEU . 22.7 mt -100.33 -177.19 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' GLN . 85.6 p -104.57 133.92 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 ' HG2' ' A' ' 41' ' ' GLN . 12.2 mt -38.53 -31.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 26.0 tp -68.82 -45.45 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.5 mt-30 -68.84 -33.16 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 40' ' ' LYS . 33.3 mm -57.42 -67.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -52.4 -46.0 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -50.55 -51.45 47.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 54.3 t90 -60.36 -44.32 95.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 22' ' ' LEU . 11.1 m-85 -58.29 -42.41 86.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -51.85 -70.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -62.22 -46.86 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -59.94 -21.02 60.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -79.62 -17.5 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HA ' ' NH2' ' A' ' 62' ' ' ARG . 2.6 ptm180 -104.56 -2.64 24.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -126.0 -42.67 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.501 ' O ' ' N ' ' A' ' 68' ' ' ASP . 2.0 mt -83.23 -67.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.619 HD22 ' CB ' ' A' ' 33' ' ' ALA . 11.5 tp -34.19 -54.68 0.86 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.8 -28.48 24.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.9 t70 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.553 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.599 0.714 . . . . 0.0 110.968 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.57 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.8 143.45 50.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -45.76 -60.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 18' ' ' SER . 11.2 pt-20 -36.28 -42.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' HG22 ' A' ' 47' ' ' THR . 10.5 p -78.91 -39.44 34.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 15' ' ' PRO . 59.4 t -55.61 -52.38 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' VAL . 19.4 tttp -35.69 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.44 HG21 ' HB2' ' A' ' 46' ' ' LYS . 4.0 mp -66.91 -45.53 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 19' ' ' VAL . 98.3 mt -72.4 -48.12 43.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.479 ' HG3' HG12 ' A' ' 19' ' ' VAL . 12.9 mtm105 -54.91 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' ARG . 9.7 t0 -37.11 -44.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.748 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 18.4 t90 -75.15 -38.39 60.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -60.12 -28.83 68.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.3 -53.8 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.94 -40.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.748 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 84.5 m-70 -97.89 3.56 49.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' MET . 15.9 ptt180 -38.47 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' HIS . 15.9 m-85 -40.07 -46.2 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -24.41 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 55.0 51.36 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' CZ ' ' HD3' ' A' ' 62' ' ' ARG . 47.3 m-85 -160.45 104.99 1.34 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.664 0.745 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.565 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.78 157.3 60.8 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 28.7 t -95.66 153.14 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' SER . 30.0 mt-10 -35.75 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 34.2 mm-40 -78.96 -48.4 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 70.2 mm-40 -52.71 -53.08 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 42' ' ' MET . 17.4 mttt -55.04 -63.31 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.575 ' NE2' HD11 ' A' ' 51' ' ' LEU . 10.7 tp60 -44.15 -22.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' LYS . 12.8 ttp -88.15 -49.01 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.49 -38.67 90.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 p -55.99 -24.24 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.87 -40.29 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HB2' HG21 ' A' ' 21' ' ' ILE . 18.0 mttm -77.42 -40.72 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' SER . 62.6 p -82.25 -19.86 38.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 70.82 28.27 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.553 HD13 HD22 ' A' ' 14' ' ' LEU . 7.1 mt -105.67 -174.18 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.1 m -114.88 137.66 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.575 HD11 ' NE2' ' A' ' 41' ' ' GLN . 7.1 mp -34.73 -43.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.92 -45.6 78.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' SER . 33.8 mt-30 -73.82 -31.97 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -57.97 -69.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m -51.99 -51.25 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.463 ' HA ' HD12 ' A' ' 59' ' ' ILE . 64.2 m-20 -43.47 -38.76 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 68.0 t90 -68.96 -50.42 49.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 31.3 m-85 -52.5 -31.59 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 56' ' ' ASN . 66.2 mt -53.63 -72.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -68.88 -39.72 79.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.572 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -54.0 -48.7 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 40.3 ttt-85 -59.66 -9.28 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -103.76 -20.79 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -125.48 12.51 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.572 HD12 ' HB1' ' A' ' 61' ' ' ALA . 5.6 mt -132.91 -61.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.623 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.2 tp -46.52 -52.76 28.28 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -8.99 25.0 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.398 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 49' ' ' LEU . 17.0 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.79 133.46 25.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.05 -63.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.6 tt0 -36.26 -53.91 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -68.02 -48.1 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . 53.2 t -47.34 -53.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' VAL . 47.0 tttm -36.69 -41.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -63.9 -47.55 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 83.5 mt -69.95 -54.39 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 9.7 mtp-105 -49.15 -61.57 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -39.26 -42.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 20.6 t90 -76.65 -38.67 54.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.6 ttt -59.42 -23.85 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -71.64 -62.37 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -53.64 -35.68 61.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 86.6 m-70 -101.63 3.41 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 26' ' ' MET . 16.1 ptt180 -41.58 -30.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.86 -44.21 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -114.26 -26.63 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.718 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . . . 57.01 48.35 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 47.9 m-85 -159.85 105.03 1.43 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.727 0.775 . . . . 0.0 110.946 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 34' ' ' TYR . 53.8 Cg_endo -69.78 172.64 12.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' GLU . 9.2 t -106.32 150.73 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -37.64 -27.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.9 mt-10 -80.59 -49.34 11.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' SER . 48.9 mt-10 -57.55 -53.1 61.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -49.7 -56.29 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' A' ' 51' ' ' LEU . 11.0 tp60 -53.35 -34.5 57.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.2 ttp -69.51 -53.37 19.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.61 -46.13 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.18 -26.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -72.52 -40.78 66.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -38.29 32.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.2 p -87.8 -19.72 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 86.3 m-20 63.37 38.54 10.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.581 ' CD2' HD22 ' A' ' 14' ' ' LEU . 15.3 mt -109.09 -175.95 2.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.0 m -107.38 134.17 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.582 HD11 ' OE1' ' A' ' 41' ' ' GLN . 97.9 mt -34.84 -41.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.76 -47.2 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.2 mt-30 -65.13 -38.56 91.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.417 HD12 HD21 ' A' ' 22' ' ' LEU . 44.7 mm -54.18 -68.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 t -54.12 -46.73 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 59' ' ' ILE . 74.2 m-20 -51.21 -53.08 38.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.554 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 62.5 t90 -54.0 -44.41 70.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -56.58 -33.12 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 56' ' ' ASN . 69.2 mt -54.56 -72.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -61.32 -44.4 97.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -52.98 -43.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.773 ' HG3' HD22 ' A' ' 66' ' ' LEU . 50.2 ttp85 -65.44 -2.25 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 75.8 mtt-85 -103.6 -27.8 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -125.46 -43.63 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.554 HD12 ' CZ2' ' A' ' 57' ' ' TRP . 5.8 mt -68.27 -57.75 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.773 HD22 ' HG3' ' A' ' 62' ' ' ARG . 12.1 tp -46.02 -54.02 18.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.79 -8.49 23.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.352 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 49' ' ' LEU . 2.6 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 121.593 0.711 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.554 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.4 Cg_endo -69.82 141.5 45.15 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -41.52 -61.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.505 ' O ' HD12 ' A' ' 21' ' ' ILE . 9.9 pt-20 -36.47 -45.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.56 ' HA ' HD13 ' A' ' 21' ' ' ILE . 4.1 t -76.09 -38.86 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 15' ' ' PRO . 58.6 t -54.86 -53.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -39.51 -43.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 18' ' ' SER . 4.6 mp -60.63 -49.68 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.05 -56.41 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.52 ' NE ' HG12 ' A' ' 19' ' ' VAL . 53.5 mtm180 -46.12 -59.66 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -37.07 -42.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.531 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 72.7 t90 -75.54 -54.97 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.501 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -48.54 -19.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -75.11 -49.58 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -66.73 -36.57 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.531 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.4 m-70 -101.67 4.03 40.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.501 ' CA ' ' O ' ' A' ' 26' ' ' MET . 34.5 ptt180 -36.48 -29.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.5 t80 -54.7 -48.8 72.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -38.32 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.469 ' HB3' ' NE ' ' A' ' 62' ' ' ARG . . . 57.43 37.39 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -134.99 89.74 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.88 58.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 37.3 t -86.15 153.92 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' SER . 6.6 mm-40 -33.1 -42.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.31 -50.94 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.1 mm-40 -53.73 -54.05 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HB2' HD22 ' A' ' 51' ' ' LEU . 12.8 mttt -56.01 -60.56 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' A' ' 51' ' ' LEU . 4.4 tp60 -51.73 -34.61 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.3 ttp -68.37 -52.82 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -48.1 -23.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.06 -36.31 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -32.85 18.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.8 p -89.19 -24.06 22.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 7.0 t-20 67.38 30.45 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 14' ' ' LEU . 20.4 mt -101.22 -177.25 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLN . 58.1 m -106.34 137.45 44.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.582 HD11 ' OE1' ' A' ' 41' ' ' GLN . 39.1 mt -38.31 -38.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 tp -64.39 -48.45 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' SER . 30.5 mt-30 -65.0 -41.24 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -49.27 -68.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -56.37 -45.96 80.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -49.01 -38.62 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -74.65 -41.63 59.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -57.42 -31.98 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.39 -69.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -55.92 -28.36 56.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.737 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -75.76 -42.29 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.469 ' NE ' ' HB3' ' A' ' 33' ' ' ALA . 57.5 ttt-85 -66.96 -0.9 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -103.35 -25.7 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -125.67 -43.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.737 HD12 ' HB1' ' A' ' 61' ' ' ALA . 8.4 mt -67.03 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 12.3 tp -45.71 -54.01 17.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.79 -9.02 25.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 14.8 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 49' ' ' LEU . 5.1 mt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 121.624 0.726 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.79 142.82 48.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.387 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.19 -67.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 21' ' ' ILE . 22.6 tt0 -35.13 -57.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.478 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.9 t -59.63 -47.18 86.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.4 t -52.33 -53.67 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -39.25 -40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.7 mp -62.7 -50.35 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CD2' HD13 ' A' ' 43' ' ' LEU . 91.9 mt -68.74 -54.83 13.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -46.76 -61.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -39.13 -43.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 34.6 t90 -74.48 -40.85 61.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -55.99 -29.32 60.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.71 -51.89 55.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -57.06 -49.33 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 8.3 m-70 -90.74 4.01 52.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 27.6 ptt-85 -36.33 -41.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 37.7 m-85 -43.88 -49.95 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 10.0 ptpt -98.2 -45.34 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.644 ' HB1' ' HG2' ' A' ' 62' ' ' ARG . . . 72.43 50.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.455 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 43.8 m-85 -161.15 104.96 1.24 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.636 0.731 . . . . 0.0 110.977 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.43 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.74 166.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.6 m -98.77 153.45 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -40.11 -25.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mp0 -86.22 -47.83 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -50.73 -50.42 55.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -56.78 -66.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -43.28 -28.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.3 ttp -77.11 -48.99 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' CD2' ' A' ' 22' ' ' LEU . 5.7 mt -65.38 -44.22 88.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -49.54 -23.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.96 -43.69 52.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -75.86 -41.02 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -81.71 -22.6 37.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 71.2 29.3 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 14' ' ' LEU . 9.8 mt -103.85 -174.61 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 6.0 m -114.41 134.84 54.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.639 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.9 mp -33.34 -40.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.474 HD11 HD21 ' A' ' 56' ' ' ASN . 28.5 tp -57.73 -48.46 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.1 mt-30 -72.54 -31.16 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.37 -68.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 t -57.07 -48.76 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.804 ' HA ' HD12 ' A' ' 59' ' ' ILE . 59.5 m-20 -49.08 -40.93 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.409 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 34.6 t90 -65.03 -45.67 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -54.5 -37.62 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 56' ' ' ASN . 55.1 mt -51.08 -64.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.94 -30.16 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.691 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -63.9 -38.92 92.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.644 ' HG2' ' HB1' ' A' ' 33' ' ' ALA . 15.6 mtp-105 -69.87 -0.16 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 46.4 mtt180 -103.36 -23.91 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -125.38 -43.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.691 HD12 ' HB1' ' A' ' 61' ' ' ALA . 25.9 mt -72.91 -62.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.649 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 2.6 tp -41.09 -51.7 7.49 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 -21.12 33.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' ILE . 2.4 m-20 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.652 HD12 ' CD1' ' A' ' 57' ' ' TRP . 10.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.657 0.741 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 134.33 27.74 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.02 -59.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 21' ' ' ILE . 23.8 tt0 -41.05 -52.26 3.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.575 ' HA ' HD13 ' A' ' 21' ' ' ILE . 67.3 m -70.49 -32.73 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 15' ' ' PRO . 98.0 t -61.49 -52.31 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -39.27 -43.77 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.0 mp -58.39 -47.05 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.54 -53.88 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -48.28 -60.56 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -39.15 -41.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.657 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 67.5 t90 -74.54 -51.9 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.3 ttt -48.07 -22.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 20.1 t80 -70.46 -49.56 47.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.7 -36.86 82.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.657 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.1 m-70 -100.47 4.21 43.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 27' ' ' TYR . 5.4 ptm180 -36.19 -34.07 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.2 m-30 -55.45 -49.45 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -95.85 -47.1 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 71.27 51.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.529 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 91.7 m-85 -163.03 105.01 1.01 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.729 0.776 . . . . 0.0 110.931 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.76 166.52 27.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 38' ' ' GLU . 75.4 m -102.58 153.42 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -37.11 -29.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' SER . 25.5 mt-10 -80.62 -47.31 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -54.29 -54.05 45.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -52.15 -61.07 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.722 ' OE1' HD11 ' A' ' 51' ' ' LEU . 17.2 tp60 -52.35 -31.44 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.9 ttp -70.42 -51.88 26.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.99 -41.24 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -48.92 -22.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -76.72 -41.73 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.84 -33.57 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -92.53 -21.29 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.97 38.13 8.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.587 ' CD2' HD22 ' A' ' 14' ' ' LEU . 13.4 mt -107.92 -178.24 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.3 m -105.75 134.4 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.722 HD11 ' OE1' ' A' ' 41' ' ' GLN . 73.3 mt -34.91 -39.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.9 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' SER . 27.4 mt-30 -64.53 -40.9 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.7 mm -49.96 -67.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -55.51 -43.71 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 41.6 m-20 -54.23 -39.4 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.652 ' CD1' HD12 ' A' ' 14' ' ' LEU . 6.6 t90 -72.04 -31.11 65.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 10.7 m-85 -69.22 -31.32 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.6 -70.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -55.81 -42.9 76.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.749 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -58.71 -41.43 86.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.544 ' HG3' HD22 ' A' ' 66' ' ' LEU . 62.6 ttp85 -63.65 -4.35 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 38.7 mtm180 -90.62 -31.85 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.34 -43.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.749 HD12 ' HB1' ' A' ' 61' ' ' ALA . 3.3 mt -60.27 -62.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.578 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 7.0 tp -44.86 -55.71 10.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.73 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.8 Cg_endo -69.74 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.917 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.575 HD12 ' CD1' ' A' ' 57' ' ' TRP . 5.7 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' VAL . 54.0 Cg_endo -69.75 133.85 26.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.388 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -35.12 -64.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 21' ' ' ILE . 12.6 tt0 -37.02 -53.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.563 ' HA ' HD13 ' A' ' 21' ' ' ILE . 67.7 m -68.13 -35.06 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' ALA . 87.9 t -59.21 -50.99 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -41.29 -44.5 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.59 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.0 mp -58.98 -44.72 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 73.7 mt -71.5 -55.83 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' ASP . 39.2 mtp180 -48.8 -59.27 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 8.8 t0 -37.65 -46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.736 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 24.6 t90 -73.9 -39.59 63.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.483 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 4.2 ttm -60.83 -26.31 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -71.16 -53.73 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -60.92 -40.99 95.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.736 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 83.1 m-70 -96.51 3.26 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.483 ' CA ' ' O ' ' A' ' 26' ' ' MET . 24.3 ptt180 -39.68 -37.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' ARG . 23.3 m-85 -34.82 -40.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -120.46 -27.56 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 58.78 50.5 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 38.4 m-85 -157.8 105.03 1.77 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.9 Cg_endo -69.73 171.93 13.54 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.3 t -110.41 153.1 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . 66.6 mt-10 -35.86 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -80.12 -49.06 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.4 mm-40 -54.55 -49.96 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -57.33 -64.11 1.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' NE2' HD11 ' A' ' 51' ' ' LEU . 11.0 tp60 -44.8 -27.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -79.43 -49.45 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.51 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.69 -28.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.68 -38.78 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -77.54 -35.69 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 18' ' ' SER . 70.9 p -94.18 -20.81 19.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 11.9 m-80 69.45 35.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.575 ' CD1' HD22 ' A' ' 14' ' ' LEU . 12.9 mt -111.23 -174.81 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' LEU . 18.0 m -112.43 135.89 52.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.667 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.6 mp -33.94 -42.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.06 -52.17 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' SER . 22.9 mt-30 -68.21 -32.12 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.27 -66.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -54.24 -53.96 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.53 ' HA ' HD12 ' A' ' 59' ' ' ILE . 15.3 m-80 -47.38 -37.93 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.575 ' CD1' HD12 ' A' ' 14' ' ' LEU . 42.5 t90 -67.0 -52.52 41.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 17.4 m-85 -47.0 -32.52 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 56' ' ' ASN . 63.8 mt -66.71 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.68 -16.8 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.715 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -81.66 -51.88 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.509 ' HB2' HD22 ' A' ' 66' ' ' LEU . 2.6 ptt85 -69.38 -1.13 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 11.6 mtp-105 -91.52 -27.4 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.34 -6.85 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.715 HD12 ' HB1' ' A' ' 61' ' ' ALA . 43.1 mt -110.48 -40.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.713 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.2 tp -50.79 -47.45 85.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.83 -18.37 36.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 49' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.603 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.75 135.95 31.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.349 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -36.74 -64.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.06 -51.64 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' HD13 ' A' ' 21' ' ' ILE . 56.0 m -72.0 -35.63 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 15' ' ' PRO . 59.9 t -59.86 -52.76 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -38.82 -38.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 18' ' ' SER . 4.1 mp -64.12 -43.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' VAL . 95.8 mt -74.97 -48.47 24.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' HG21 ' A' ' 65' ' ' ILE . 44.1 mtm180 -53.95 -59.88 4.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -39.78 -46.95 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.752 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 19.6 t90 -71.84 -37.3 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -60.57 -30.4 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.79 -49.85 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -60.5 -47.1 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.752 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 68.1 m-70 -93.56 3.54 55.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.495 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.4 ptt180 -40.4 -33.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ARG . 22.2 m-85 -37.98 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.436 ' CB ' ' HG3' ' A' ' 62' ' ' ARG . . . 59.5 51.57 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -159.83 104.98 1.44 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.76 167.0 25.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.2 t -105.2 151.92 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' SER . 47.3 mm-40 -34.88 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' SER . 9.2 mt-10 -78.21 -48.03 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 40.7 mm-40 -54.45 -52.64 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.461 ' HB2' HD13 ' A' ' 51' ' ' LEU . 18.8 mttt -55.0 -66.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.574 ' NE2' HD21 ' A' ' 51' ' ' LEU . 7.0 tp60 -44.33 -27.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ttp -79.02 -49.35 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.62 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t -51.66 -22.71 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -78.48 -40.57 35.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 21' ' ' ILE . 15.2 mtpt -76.8 -41.02 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 18' ' ' SER . 71.3 p -85.31 -26.92 26.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t30 74.47 34.67 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 14' ' ' LEU . 11.3 mt -106.59 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -107.1 141.34 38.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.574 HD21 ' NE2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -45.15 -26.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 19.0 tp -74.12 -42.48 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.86 -33.18 65.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -57.01 -69.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -52.77 -46.11 67.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 52.3 m-20 -51.88 -48.42 64.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.463 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 47.0 t90 -57.74 -47.99 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 18.1 m-85 -52.57 -31.83 37.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -55.37 -72.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -69.65 -19.46 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.897 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -80.35 -27.19 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.436 ' HG3' ' CB ' ' A' ' 33' ' ' ALA . 43.1 ttp85 -79.32 -14.45 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -105.3 -4.93 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -125.77 -43.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 ' HB1' ' A' ' 61' ' ' ALA . 10.0 mt -82.95 -66.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 15.2 tp -34.93 -53.72 1.06 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -31.05 21.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' ILE . 14.5 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 49' ' ' LEU . 7.0 mt . . . . . 0 C--O 1.23 0.07 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.54 40.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.602 2.202 . . . . 0.0 112.353 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -42.49 -63.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.24 -47.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 37.7 m -73.93 -47.08 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.796 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.7 t -48.42 -49.89 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -38.3 -40.0 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -65.11 -47.95 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.546 HD23 HD13 ' A' ' 43' ' ' LEU . 70.8 mt -69.06 -54.27 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.785 ' HE ' HD13 ' A' ' 65' ' ' ILE . 69.1 mtt180 -49.31 -58.12 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -38.79 -48.29 1.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.747 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 18.1 t90 -75.4 -36.84 60.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.497 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -64.23 -27.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.96 -57.17 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.747 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 88.9 m-70 -91.93 3.43 55.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' CA ' ' O ' ' A' ' 26' ' ' MET . 26.0 ptt-85 -40.69 -40.15 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 15.5 m-85 -37.66 -41.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.47 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 1.3 ptpt -112.83 -31.02 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.55 31.61 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 46.4 m-85 -133.94 92.01 23.24 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.689 0.757 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.455 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.74 166.11 28.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.3 t -104.47 151.69 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.7 mt-10 -35.54 -31.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.6 mp0 -76.39 -50.52 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 62.1 mm-40 -54.59 -52.01 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.0 mttt -54.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.78 ' OE1' HD11 ' A' ' 51' ' ' LEU . 52.0 tp60 -45.66 -41.77 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ttp -59.73 -52.04 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.546 HD13 HD23 ' A' ' 22' ' ' LEU . 11.2 mt -64.04 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -53.93 -23.69 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.75 -36.81 62.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -82.01 -41.04 21.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.8 p -85.66 -12.86 50.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.95 32.57 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.585 ' HB2' HD11 ' A' ' 54' ' ' ILE . 20.6 mt -99.49 -175.39 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLN . 56.6 m -112.43 136.68 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 41' ' ' GLN . 49.6 mt -35.14 -47.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.605 HD11 HD21 ' A' ' 56' ' ' ASN . 22.1 tp -55.98 -47.82 76.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.6 mt-30 -65.69 -39.03 90.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 49' ' ' LEU . 47.2 mm -56.14 -69.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -54.68 -46.06 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.605 HD21 HD11 ' A' ' 52' ' ' LEU . 51.2 m-20 -51.84 -44.02 63.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.601 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 28.3 t90 -66.07 -42.39 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.5 ' O ' ' N ' ' A' ' 62' ' ' ARG . 10.6 m-85 -55.86 -41.27 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 56' ' ' ASN . 75.4 mt -52.05 -72.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.07 -30.68 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -74.58 -21.9 59.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 58' ' ' PHE . 12.3 ttp-105 -81.12 -15.05 57.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -107.56 -2.16 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 39.4 ttt-85 -126.74 -43.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.785 HD13 ' HE ' ' A' ' 23' ' ' ARG . 3.0 mt -84.85 -61.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.655 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 18.4 tp -40.49 -51.17 6.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 -21.38 33.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.2 t70 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.529 HD22 HD22 ' A' ' 49' ' ' LEU . 8.2 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.06 -64.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 21' ' ' ILE . 5.1 pt-20 -35.0 -54.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 21' ' ' ILE . 12.9 m -67.52 -40.69 85.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' LEU . 71.2 t -56.1 -53.08 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -37.96 -42.84 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -63.19 -43.23 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 54' ' ' ILE . 93.7 mt -74.53 -57.28 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -45.56 -50.48 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -45.71 -43.36 12.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 43.9 t90 -76.38 -40.03 52.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . 0.464 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.5 ttt -60.87 -24.09 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.497 ' O ' ' NE ' ' A' ' 30' ' ' ARG . 1.9 t80 -76.13 -55.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -60.41 -36.79 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 89.0 m-70 -100.81 4.49 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 27' ' ' TYR . 2.6 ptp85 -35.94 -35.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.7 m-85 -40.77 -46.5 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.39 -29.85 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.09 37.85 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.418 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 20.1 m-85 -134.99 93.8 16.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.879 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.08 66.22 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' GLU . 49.7 m -87.96 155.22 19.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 33.4 mt-10 -36.63 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -79.99 -49.5 11.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' SER . 72.9 mm-40 -53.02 -51.1 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.15 -66.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.487 ' CD ' HD21 ' A' ' 51' ' ' LEU . 2.7 tp60 -44.23 -34.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.6 ttp -67.68 -49.8 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.55 -23.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.71 -45.25 53.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -75.45 -35.57 60.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 p -91.8 -16.6 26.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.3 m-20 61.42 36.69 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.529 HD22 HD22 ' A' ' 14' ' ' LEU . 18.2 mt -105.58 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLN . 9.0 m -110.76 135.94 50.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.487 HD21 ' CD ' ' A' ' 41' ' ' GLN . 75.5 mt -35.32 -39.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.539 HD11 HD21 ' A' ' 56' ' ' ASN . 18.5 tp -63.01 -46.22 88.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.8 mt-30 -65.44 -41.12 93.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.542 HD12 HD21 ' A' ' 22' ' ' LEU . 29.8 mm -51.68 -69.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -55.69 -49.72 72.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.539 HD21 HD11 ' A' ' 52' ' ' LEU . 65.0 m-20 -47.96 -37.05 13.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -72.37 -42.06 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -57.91 -36.32 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.16 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -60.85 -36.81 80.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.856 ' CB ' HD12 ' A' ' 65' ' ' ILE . . . -63.25 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 13.4 mtp-105 -66.48 -1.58 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -103.97 -25.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -126.67 -43.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.856 HD12 ' CB ' ' A' ' 61' ' ' ALA . 80.1 mt -69.86 -56.92 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.615 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 6.0 tp -47.83 -53.59 30.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.79 3.32 2.85 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.482 HD22 HD22 ' A' ' 49' ' ' LEU . 3.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.77 137.23 34.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -34.69 -65.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -34.97 -45.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 m -77.11 -36.87 55.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 16' ' ' ALA . 55.9 t -60.48 -52.63 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -38.18 -39.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.4 mp -65.6 -45.02 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' VAL . 79.9 mt -73.09 -54.9 7.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.436 ' HE ' HD13 ' A' ' 65' ' ' ILE . 51.6 mtt180 -47.82 -58.51 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.81 -38.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.762 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 59.4 t90 -77.86 -49.23 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' MET . . . . . . . . . . . . . 7.8 ttm -52.38 -22.97 5.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.07 -62.16 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.28 -34.19 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . 0.762 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 77.9 m-70 -101.32 4.02 41.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' HIS . 3.0 ptm180 -36.21 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' HIS . 5.6 m-85 -47.21 -49.72 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.9 ptpp? -105.56 -46.74 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 32' ' ' LYS . . . 72.73 52.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 53.4 m-85 -161.2 104.98 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.739 0.78 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 170.43 16.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.376 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.6 t -109.57 154.17 23.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' SER . 18.0 mt-10 -36.49 -29.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 36' ' ' SER . 18.6 mm-40 -80.82 -48.53 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.3 mm-40 -55.16 -53.53 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -52.5 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HA ' HD21 ' A' ' 51' ' ' LEU . 2.2 tp60 -46.53 -35.23 5.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.2 ttp -69.5 -51.46 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.48 -44.57 95.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -47.91 -25.99 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -73.66 -40.11 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -79.09 -41.2 29.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.6 p -86.31 -18.53 31.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' SER . 3.4 m120 65.04 28.77 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.482 HD22 HD22 ' A' ' 14' ' ' LEU . 15.4 mt -97.69 -174.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.9 m -109.2 138.85 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 41' ' ' GLN . 58.4 mt -38.99 -39.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.99 -48.28 79.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.74 -39.94 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -53.9 -68.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -53.74 -41.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 59' ' ' ILE . 68.3 m-20 -54.93 -55.24 32.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 57.2 t90 -51.52 -42.31 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 11.7 m-85 -57.86 -35.43 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 56' ' ' ASN . 76.4 mt -50.94 -71.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.76 -41.91 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.88 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -56.32 -33.59 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.735 ' HG3' HD22 ' A' ' 66' ' ' LEU . 53.7 ttt-85 -78.18 -7.72 57.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 37.6 mtp180 -105.2 -9.48 17.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -127.07 -43.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.88 HD12 ' HB1' ' A' ' 61' ' ' ALA . 17.8 mt -78.8 -59.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' A' ' 62' ' ' ARG . 37.5 tp -45.08 -50.32 27.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.957 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.668 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.75 -14.54 36.26 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t70 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.917 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -133.64 154.36 50.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.877 0.37 . . . . 0.0 110.864 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 t -174.44 173.32 2.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.849 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.42 178.2 43.22 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.466 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -141.15 170.27 16.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.4 m -139.05 166.05 25.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.91 127.48 1.22 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.458 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.2 mmtp -125.63 119.18 27.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 46.3 mttp -151.95 170.61 19.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.3 ptm180 -130.9 124.52 31.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.8 tptp -153.02 155.02 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -72.38 -142.47 0.43 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.486 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -51.5 176.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.896 0.379 . . . . 0.0 110.877 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.75 HD22 ' CD2' ' A' ' 49' ' ' LEU . 10.8 mt -104.42 150.9 38.97 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.635 0.731 . . . . 0.0 110.899 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.453 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.1 Cg_endo -69.72 130.57 19.63 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.748 2.299 . . . . 0.0 112.377 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.453 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.62 -66.73 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.8 tp10 -34.9 -43.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.0 m -75.86 -47.45 25.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.526 HG12 ' HE ' ' A' ' 23' ' ' ARG . 95.4 t -48.97 -46.98 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.5 tttt -39.42 -42.92 1.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.431 ' H ' HD12 ' A' ' 21' ' ' ILE . 4.0 mp -60.14 -45.12 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.203 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.484 HD23 HD13 ' A' ' 43' ' ' LEU . 73.2 mt -71.17 -50.71 30.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.948 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.526 ' HE ' HG12 ' A' ' 19' ' ' VAL . 49.0 mtm180 -54.0 -60.86 2.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 23' ' ' ARG . 11.6 t70 -36.68 -40.7 0.27 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.744 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 42.1 t90 -79.4 -42.37 25.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.434 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.8 ttt -58.42 -24.73 60.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.0 t80 -71.6 -64.95 0.82 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.926 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.6 mtmm -53.13 -35.05 59.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.744 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 92.3 m-70 -99.66 3.3 45.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.856 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.434 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.6 ptt180 -37.06 -33.4 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 49.7 m-85 -40.36 -48.48 2.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.552 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -116.76 -23.66 8.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.45 35.3 10.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.094 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.587 ' CE2' ' NH2' ' A' ' 62' ' ' ARG . 48.6 m-85 -134.99 96.12 14.7 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.704 0.764 . . . . 0.0 110.889 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 167.54 24.21 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.325 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 38' ' ' GLU . 23.0 m -106.82 154.11 21.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.822 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.43 ' C ' ' O ' ' A' ' 36' ' ' SER . 26.0 mt-10 -35.88 -30.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.1 mp0 -76.6 -50.9 12.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.7 mm-40 -55.41 -51.19 67.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 51' ' ' LEU . 16.2 mttt -56.55 -61.2 2.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.766 ' OE1' HD11 ' A' ' 51' ' ' LEU . 10.3 tp60 -48.98 -33.31 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ttp -68.93 -51.28 41.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.484 HD13 HD23 ' A' ' 22' ' ' LEU . 5.2 mt -63.9 -40.39 96.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 t -50.77 -24.83 3.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -74.77 -34.49 62.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -84.77 -40.16 17.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 p -83.65 -26.54 29.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.137 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 30.0 t30 73.13 37.84 0.73 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.75 ' CD2' HD22 ' A' ' 14' ' ' LEU . 11.6 mt -109.76 -174.9 2.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 53' ' ' GLN . 21.4 m -109.57 133.94 52.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.766 HD11 ' OE1' ' A' ' 41' ' ' GLN . 48.3 mt -34.25 -42.17 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.896 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.428 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 23.4 tp -59.49 -47.78 84.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 50' ' ' SER . 28.7 mt-30 -65.55 -41.07 93.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.845 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 49' ' ' LEU . 50.3 mm -50.42 -68.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.121 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.6 t -54.44 -44.85 72.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.834 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 46.2 m-20 -51.52 -47.47 63.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.443 ' CZ2' ' CD1' ' A' ' 65' ' ' ILE . 48.4 t90 -61.07 -41.47 96.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -57.75 -40.39 79.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.2 mt -49.1 -72.33 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.8 t-20 -64.16 -34.38 77.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.964 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -60.57 -34.35 74.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.587 ' NH2' ' CE2' ' A' ' 34' ' ' TYR . 12.1 mtp-105 -74.74 -0.5 18.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 0.5 OUTLIER -103.5 -18.59 14.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 -179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.4 mtp180 -125.35 -43.15 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.964 HD12 ' HB1' ' A' ' 61' ' ' ALA . 60.3 mt -76.35 -65.5 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.636 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.4 tp -40.37 -52.23 5.99 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.958 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.72 -21.49 33.62 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.283 . . . . 0.0 112.352 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 65' ' ' ILE . 1.2 t0 -81.09 -32.22 34.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 70' ' ' LEU . 13.7 ptp -91.72 -46.21 8.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.419 ' N ' ' HG3' ' A' ' 69' ' ' MET . 22.1 tp -74.01 -42.35 60.5 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.89 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 55.44 45.03 26.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -92.48 91.93 7.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -70.55 80.12 0.58 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -60.32 -54.17 48.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 68.99 50.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -127.06 88.76 53.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.597 0.713 . . . . 0.0 110.857 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 103.13 1.11 Allowed 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.679 2.253 . . . . 0.0 112.356 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.6 m -56.86 124.36 18.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -46.14 146.7 2.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -178.64 2.46 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.658 2.239 . . . . 0.0 112.334 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 78.1 p -103.04 -43.28 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 t 60.79 42.36 13.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 -180.0 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.6 p -73.13 -53.65 10.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.365 . . . . 0.0 110.856 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.2 t 38.31 42.25 0.5 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.0 -104.8 0.26 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.522 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m 59.14 53.18 5.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.858 0.361 . . . . 0.0 110.862 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -86.9 49.73 1.87 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.844 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.47 48.27 2.6 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.507 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.4 mtmm -106.87 105.38 15.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.353 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.0 122.58 16.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -122.25 113.22 19.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 141.57 58.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 133.54 175.38 13.91 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -148.3 156.03 42.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.814 0.34 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.657 HD22 HD13 ' A' ' 49' ' ' LEU . 8.7 mt -77.78 150.87 79.17 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.583 0.706 . . . . 0.0 110.934 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.79 133.79 26.35 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.321 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.82 -65.85 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' O ' HD12 ' A' ' 21' ' ' ILE . 20.8 tt0 -35.95 -46.55 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.463 ' HA ' HD13 ' A' ' 21' ' ' ILE . 73.3 m -73.58 -42.24 61.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.421 ' O ' ' N ' ' A' ' 22' ' ' LEU . 84.1 t -53.58 -53.13 27.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.2 ttmm -39.1 -38.9 0.52 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 18' ' ' SER . 3.7 mp -64.76 -44.22 96.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.187 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.486 ' CD2' HD13 ' A' ' 43' ' ' LEU . 75.6 mt -73.58 -52.82 12.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 60.4 mtt180 -49.88 -57.28 7.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.81 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -39.42 -49.76 2.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.733 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 31.0 t90 -71.32 -41.22 70.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.9 ttt -60.62 -24.18 65.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 26.7 t80 -72.47 -51.83 18.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -63.37 -41.67 98.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.893 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.733 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 77.2 m-70 -96.29 3.68 52.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.83 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' CA ' ' O ' ' A' ' 26' ' ' MET . 33.7 ptt-85 -36.73 -38.63 0.18 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.889 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' ARG . 25.0 m-85 -35.21 -44.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' CG ' ' H ' ' A' ' 34' ' ' TYR . 2.1 ptpt -118.04 -23.05 7.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 50.23 31.68 5.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.061 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.409 ' H ' ' CG ' ' A' ' 32' ' ' LYS . 22.6 m-85 -134.99 93.98 16.72 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.914 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.6 Cg_endo -69.81 172.09 13.33 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.287 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 38' ' ' GLU . 83.5 p -107.97 154.01 22.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.0 tt0 -36.3 -31.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.7 mp0 -74.54 -51.73 13.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' SER . 71.2 mm-40 -54.47 -53.87 48.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -52.55 -64.14 0.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.724 ' HA ' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -41.88 -41.13 2.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.0 ttp -63.46 -51.46 65.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.486 HD13 ' CD2' ' A' ' 22' ' ' LEU . 12.9 mt -60.96 -46.56 90.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.468 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.5 p -46.73 -31.09 2.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.812 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -68.2 -38.44 81.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -82.05 -35.64 28.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.8 p -88.19 -15.15 36.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.468 ' N ' ' O ' ' A' ' 44' ' ' SER . 90.1 m-20 62.43 36.82 13.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.657 HD13 HD22 ' A' ' 14' ' ' LEU . 19.5 mt -111.38 -179.25 3.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.7 m -103.82 135.5 45.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.724 HD21 ' HA ' ' A' ' 41' ' ' GLN . 97.2 mt -38.48 -34.19 0.13 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.914 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.2 tp -65.33 -47.09 77.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.6 mt-30 -67.41 -40.95 85.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.1 mm -49.38 -69.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.8 t -51.28 -49.78 60.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.579 ' HA ' HD12 ' A' ' 59' ' ' ILE . 69.9 m-20 -44.44 -41.94 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.501 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 75.4 t90 -68.68 -39.28 80.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.964 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.46 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 12.9 m-85 -64.03 -30.61 71.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 56' ' ' ASN . 84.0 mt -61.27 -63.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.71 -29.62 64.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.553 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -66.92 -50.63 61.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.122 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.528 ' HG2' HD23 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -65.98 -1.72 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 39.3 mtp180 -103.87 -27.74 12.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.07 -43.19 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.553 HD12 ' HB1' ' A' ' 61' ' ' ALA . 21.6 mt -69.11 -50.77 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.606 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 4.1 tp -49.32 -54.21 32.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.585 0.707 . . . . 0.0 110.919 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.606 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.72 -5.0 15.13 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.675 2.25 . . . . 0.0 112.318 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -98.22 -55.29 2.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 2.4 ptm -66.14 -36.18 82.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.4 tt -64.01 -47.78 78.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -40.14 142.99 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -62.44 112.0 2.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.4 mmt180 -130.59 -53.47 1.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.45 125.74 45.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.847 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -48.78 124.98 9.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.88 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.413 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 20.4 t70 -113.39 89.85 15.86 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.58 0.705 . . . . 0.0 110.895 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 76' ' ' ASP . 53.4 Cg_endo -69.8 174.91 8.85 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.327 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.2 t -88.4 149.46 23.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.821 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -121.3 162.45 15.04 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.45 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 147.98 63.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.703 2.268 . . . . 0.0 112.312 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m -146.22 164.64 31.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 93.1 p -82.35 175.2 10.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.884 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.461 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -131.41 -55.08 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.851 0.358 . . . . 0.0 110.87 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 m -154.17 176.65 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.19 -136.4 7.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -175.03 171.42 3.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.893 0.378 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.2 p -159.46 171.45 19.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.874 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.28 152.01 18.24 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.504 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' N ' ' HD3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -171.66 136.47 0.96 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.874 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' HD3' ' C ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -150.86 108.14 3.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.85 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.7 mmp_? -132.52 153.65 50.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.2 ttpt -104.8 157.64 17.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 142.13 148.56 5.03 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.47 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -119.15 156.09 30.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.499 HD22 HD22 ' A' ' 49' ' ' LEU . 2.0 mt -100.7 152.01 37.73 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.611 0.719 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 134.35 27.77 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.367 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.64 -62.42 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.071 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.481 ' O ' HD12 ' A' ' 21' ' ' ILE . 8.3 tt0 -35.72 -53.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.409 ' HA ' HD13 ' A' ' 21' ' ' ILE . 10.3 p -66.28 -39.08 89.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.817 -179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.435 ' N ' ' O ' ' A' ' 16' ' ' ALA . 97.4 t -56.94 -52.52 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttmt -39.58 -41.57 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.481 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.9 mp -62.7 -46.08 97.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.137 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.47 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 75.3 mt -70.84 -54.95 9.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.585 ' HG2' HG21 ' A' ' 65' ' ' ILE . 9.4 mtp-105 -48.75 -60.87 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 23' ' ' ARG . 3.7 t70 -37.32 -46.54 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.752 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 32.5 t90 -72.91 -41.6 64.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.1 ttm -60.57 -25.67 66.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -68.62 -51.64 40.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.95 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.6 mttm -61.78 -46.08 91.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.752 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 66.9 m-70 -92.02 3.4 55.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.496 ' N ' ' O ' ' A' ' 26' ' ' MET . 18.3 ptt-85 -36.82 -41.33 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.849 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 3.1 m-85 -37.78 -46.01 0.87 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -104.51 -32.97 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.766 ' HB3' ' HE ' ' A' ' 62' ' ' ARG . . . 57.96 49.76 11.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.145 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.401 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 47.5 m-85 -160.58 104.95 1.32 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 0.0 110.967 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.557 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.9 Cg_endo -69.69 173.66 10.59 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.732 2.288 . . . . 0.0 112.36 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.486 ' O ' ' N ' ' A' ' 38' ' ' GLU . 1.5 t -112.67 151.59 29.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.857 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 29.7 tt0 -34.34 -33.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -76.41 -49.95 15.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.0 mm-40 -54.09 -53.25 55.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -54.81 -58.69 6.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -50.25 -32.16 15.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ttp -75.11 -52.66 10.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 mt -57.92 -44.04 86.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.2 t -47.54 -24.72 0.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.5 mt-10 -76.15 -39.16 55.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HB2' HG21 ' A' ' 21' ' ' ILE . 11.8 mtpt -79.84 -39.61 30.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.6 p -87.91 -16.35 34.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.117 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 50.2 t30 64.87 29.35 12.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.56 ' HB2' HD11 ' A' ' 54' ' ' ILE . 10.5 mt -103.14 -175.81 2.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.916 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 53' ' ' GLN . 54.6 m -115.82 136.89 52.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.64 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.7 mp -33.71 -40.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.81 -49.94 73.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.472 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.4 mt-30 -72.51 -28.44 62.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.927 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.56 HD11 ' HB2' ' A' ' 49' ' ' LEU . 48.9 mm -63.59 -68.69 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.169 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.5 t -54.22 -50.04 68.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.823 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.682 ' HA ' HD12 ' A' ' 59' ' ' ILE . 32.6 m-20 -48.97 -47.49 43.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.57 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 57.7 t90 -59.08 -46.3 88.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.557 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.0 m-85 -52.95 -31.38 40.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.682 HD12 ' HA ' ' A' ' 56' ' ' ASN . 65.4 mt -59.82 -72.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -66.39 -23.57 66.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -80.09 -27.49 39.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.766 ' HE ' ' HB3' ' A' ' 33' ' ' ALA . 39.1 ttt-85 -79.24 -11.85 59.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.421 ' C ' ' HG3' ' A' ' 67' ' ' PRO . 18.9 ptp180 -104.95 -6.77 19.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.437 ' O ' ' CG ' ' A' ' 68' ' ' ASP . 29.1 ttp180 -125.45 -43.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.585 HG21 ' HG2' ' A' ' 23' ' ' ARG . 3.0 mt -79.52 -62.92 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.639 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 17.0 tp -42.38 -52.4 10.18 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.589 0.709 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.639 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.3 Cg_endo -69.7 -17.63 37.74 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.71 2.273 . . . . 0.0 112.367 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.437 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 4.2 m-20 -86.42 -35.56 19.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 14.1 ptp -72.59 -43.25 63.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.78 -44.24 96.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 37.0 mt-30 61.15 38.79 16.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 73' ' ' ARG . 21.4 mm100 -60.57 94.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 72' ' ' GLN . 9.5 ptm180 36.47 40.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.864 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -97.03 -45.05 6.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -46.45 102.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -116.81 144.09 32.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.632 0.729 . . . . 0.0 110.833 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 113.52 3.41 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.639 2.226 . . . . 0.0 112.355 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 17.1 t -95.4 148.36 22.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -79.39 137.77 19.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.81 138.15 36.99 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.637 2.224 . . . . 0.0 112.302 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 26.4 m -126.99 154.21 44.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 45.1 p -157.91 157.0 32.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.521 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.452 -0.259 . . . . 0.0 112.452 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -163.05 168.4 21.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.931 0.396 . . . . 0.0 110.825 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -92.27 147.55 22.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.847 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.26 -105.44 0.58 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.473 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.4 p -73.05 85.89 1.32 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.2 m -52.9 -54.71 30.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.88 98.08 2.02 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.453 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.4 mttt -81.0 88.58 5.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.821 0.343 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -132.23 147.19 52.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.1 ttp180 -85.84 -59.59 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.0 tptp 66.82 42.38 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 60.55 174.99 1.17 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -58.17 170.64 0.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 49' ' ' LEU . 3.5 mt -82.13 152.1 67.6 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.632 0.73 . . . . 0.0 110.877 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.444 ' O ' ' C ' ' A' ' 16' ' ' ALA . 54.3 Cg_endo -69.71 133.77 26.46 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.444 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.0 -65.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' C ' ' O ' ' A' ' 16' ' ' ALA . 1.1 tm-20 -35.71 -57.72 0.64 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 62.0 m -59.46 -45.88 90.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.546 HG12 ' HG3' ' A' ' 23' ' ' ARG . 60.2 t -53.58 -51.25 44.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 19' ' ' VAL . 1.5 tmtp? -37.04 -35.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -68.72 -43.81 82.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.092 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' VAL . 78.1 mt -74.85 -45.76 40.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.546 ' HG3' HG12 ' A' ' 19' ' ' VAL . 17.1 mtm105 -57.13 -56.37 22.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -44.73 -38.88 4.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.597 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 39.3 t90 -76.37 -44.09 37.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.493 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.1 ttm -52.51 -30.39 30.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.891 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.572 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 3.0 t80 -68.32 -57.83 5.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.2 mttm -54.65 -48.88 71.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.929 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.597 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 9.0 m-70 -89.77 3.5 52.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.493 ' CA ' ' O ' ' A' ' 26' ' ' MET . 25.6 ptt180 -40.81 -33.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -38.47 -48.13 1.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.934 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.531 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -111.92 -17.65 12.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.843 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 50.63 51.15 17.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.531 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 50.0 m-85 -162.21 105.02 1.11 Allowed Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.709 0.766 . . . . 0.0 110.937 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.447 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 54.4 Cg_endo -69.72 171.67 14.0 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.716 2.277 . . . . 0.0 112.396 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 53.2 m -109.1 151.58 26.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 36' ' ' SER . 3.5 mp0 -36.31 -30.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 8.0 mm-40 -75.67 -48.42 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.465 ' N ' ' O ' ' A' ' 36' ' ' SER . 63.4 mm-40 -57.45 -60.96 2.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.874 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -43.87 -57.34 3.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.925 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.662 ' OE1' HD11 ' A' ' 51' ' ' LEU . 2.3 tp60 -53.7 -37.88 63.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.958 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.461 ' CE ' ' OE1' ' A' ' 39' ' ' GLU . 9.5 tmm? -67.16 -52.81 36.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.6 mt -59.71 -42.84 93.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.73 -27.25 2.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 -71.99 -36.03 69.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -83.66 -35.88 24.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 58.7 p -92.74 -15.88 26.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 44' ' ' SER . 6.9 m120 60.31 32.49 20.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.802 HD22 HD22 ' A' ' 14' ' ' LEU . 14.8 mt -99.54 -175.59 3.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.9 m -107.61 136.24 47.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.662 HD11 ' OE1' ' A' ' 41' ' ' GLN . 60.0 mt -38.17 -35.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.7 tp -66.46 -48.72 69.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.407 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.2 mt-30 -64.72 -36.8 85.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.473 HD11 ' HB2' ' A' ' 49' ' ' LEU . 47.9 mm -55.56 -67.72 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.165 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.1 t -55.03 -44.43 74.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -53.09 -51.33 62.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.837 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.419 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 51.8 t90 -55.33 -36.55 66.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.494 ' O ' ' NE ' ' A' ' 62' ' ' ARG . 12.2 m-85 -63.6 -19.97 65.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 84.7 mt -71.4 -63.54 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.161 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -71.08 -28.47 64.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.95 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -70.57 -44.75 66.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.078 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.494 ' NE ' ' O ' ' A' ' 58' ' ' PHE . 13.2 mtm105 -68.24 -1.15 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 71.4 mtt180 -99.63 -28.38 13.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.5 ttt180 -125.45 -42.9 1.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.95 HD12 ' HB1' ' A' ' 61' ' ' ALA . 50.1 mt -69.45 -56.83 10.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.624 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 6.0 tp -46.51 -53.18 25.82 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.569 0.699 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.1 Cg_endo -69.82 -7.93 22.32 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.316 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -87.48 -43.73 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.843 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.572 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 15.3 ptp -86.68 -42.59 13.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 25.4 tp -78.87 -27.06 43.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.921 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 49.8 50.84 17.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -79.02 82.14 5.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.9 103.86 0.4 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -127.78 -43.94 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -130.22 40.85 3.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.416 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 19.3 t0 -125.39 100.42 32.26 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.667 0.746 . . . . 0.0 110.868 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 76' ' ' ASP . 53.2 Cg_endo -69.81 130.77 19.86 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.337 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 t -48.98 105.36 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.34 -95.24 0.12 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.75 54.9 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.684 2.256 . . . . 0.0 112.365 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.8 t -136.94 156.07 48.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.822 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 82.4 p -95.65 -36.62 11.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.843 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.481 -179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -174.65 158.09 2.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.892 0.377 . . . . 0.0 110.846 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.2 m -102.04 -47.91 4.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.57 151.87 2.65 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t -162.24 161.69 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.1 p -166.61 152.58 8.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.834 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.54 -55.21 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.478 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -42.1 139.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.861 0.362 . . . . 0.0 110.88 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -142.41 141.16 32.21 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -172.45 126.38 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.856 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -50.37 159.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.1 107.0 0.48 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.424 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -89.73 162.63 15.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.898 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD22 HD13 ' A' ' 49' ' ' LEU . 5.5 mt -97.41 147.81 33.51 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.62 0.724 . . . . 0.0 110.909 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.8 139.96 41.38 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.441 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.93 -64.34 0.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.609 ' O ' HD12 ' A' ' 21' ' ' ILE . 11.1 pt-20 -35.09 -51.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.539 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.3 t -69.49 -41.46 76.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' ALA . 85.2 t -54.72 -52.72 39.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -39.89 -42.67 1.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.609 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -62.21 -46.46 96.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.44 HD21 HD12 ' A' ' 54' ' ' ILE . 70.6 mt -70.84 -57.23 4.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 15.5 mtp180 -46.24 -52.39 12.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.842 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -44.15 -43.36 7.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.746 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 68.9 t90 -77.92 -49.51 14.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.902 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.551 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 2.8 ttt -54.33 -23.09 13.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.879 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 52.6 t80 -72.49 -62.54 1.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.3 mttt -60.62 -31.47 70.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.746 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 86.9 m-70 -101.71 3.4 39.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.834 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' CA ' ' O ' ' A' ' 26' ' ' MET . 14.1 ptt85 -38.02 -35.14 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 23.6 m-85 -41.35 -44.88 2.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.577 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -114.87 -32.61 5.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.03 25.14 2.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.087 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.577 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 56.6 m-85 -129.03 88.66 50.91 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.671 0.748 . . . . 0.0 110.882 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 169.11 19.7 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.683 2.256 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 4.3 t -104.93 149.59 25.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.3 mt-10 -34.51 -32.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.8 mp0 -73.51 -51.74 16.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.922 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' SER . 17.0 mt-10 -58.3 -51.62 69.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.921 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.521 ' HB3' HG21 ' A' ' 54' ' ' ILE . 10.8 mttt -53.31 -54.13 40.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.89 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.7 tp60 -48.94 -39.94 28.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -62.59 -42.33 99.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.903 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 40' ' ' LYS . 8.0 mt -71.14 -36.27 72.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.916 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.505 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -53.8 -24.32 15.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.838 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -74.43 -43.46 56.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.99 -30.64 56.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 75.3 p -97.77 -17.45 19.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.18 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 44' ' ' SER . 15.5 t-20 63.38 31.62 15.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.525 HD11 ' OG ' ' A' ' 18' ' ' SER . 10.9 mt -104.35 -174.87 2.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.971 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 53' ' ' GLN . 20.1 m -115.38 135.61 53.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.663 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.7 mp -33.61 -41.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 56' ' ' ASN . 27.2 tp -56.92 -47.69 80.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 23.2 mt-30 -72.38 -34.4 67.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.924 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.521 HG21 ' HB3' ' A' ' 40' ' ' LYS . 45.9 mm -56.39 -69.65 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 7.7 t -56.32 -45.9 80.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.422 HD21 HD11 ' A' ' 52' ' ' LEU . 57.7 m-20 -48.71 -44.75 38.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.909 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 57.5 t90 -63.24 -41.62 99.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.551 ' CE2' ' HB2' ' A' ' 26' ' ' MET . 12.6 m-85 -58.53 -42.51 87.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.883 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 85.2 mt -50.85 -67.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -61.29 -47.93 83.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.937 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -54.17 -34.09 59.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.499 ' HG3' ' CE ' ' A' ' 26' ' ' MET . 9.8 mtp-105 -69.48 -0.61 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.41 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 43.9 mtp180 -103.5 -24.46 13.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -126.29 -43.22 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.937 HD12 ' HB1' ' A' ' 61' ' ' ALA . 12.4 mt -70.69 -61.79 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.602 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 7.3 tp -44.63 -54.04 13.6 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.644 0.735 . . . . 0.0 110.95 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.2 Cg_endo -69.81 -11.21 30.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.643 2.228 . . . . 0.0 112.316 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.405 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 0.9 OUTLIER -89.04 -43.38 11.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.447 ' HG3' HD12 ' A' ' 70' ' ' LEU . 19.6 ptp -63.6 -46.66 84.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.447 HD12 ' HG3' ' A' ' 69' ' ' MET . 2.3 mp -55.69 -46.82 77.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 70' ' ' LEU . 20.2 mm100 -35.3 -46.65 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 15.1 tm0? -52.31 161.06 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.8 mmp_? -42.17 106.46 0.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.437 ' HB2' ' NH1' ' A' ' 74' ' ' ARG . 14.1 mtm105 -84.48 172.66 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -124.36 135.0 52.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.41 ' HA ' ' HD2' ' A' ' 77' ' ' PRO . 78.9 m-20 -114.55 90.78 22.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.607 0.718 . . . . 0.0 110.819 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 76' ' ' ASP . 53.7 Cg_endo -69.77 132.94 24.36 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.703 2.268 . . . . 0.0 112.302 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.4 m -51.52 110.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.836 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -170.78 148.43 11.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -178.26 2.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.659 2.239 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.5 p -128.84 165.05 21.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.1 t -136.3 165.55 25.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.448 179.969 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -117.36 166.95 11.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.889 0.375 . . . . 0.0 110.837 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.0 p -148.07 139.03 23.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.33 168.4 11.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.491 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 m -159.26 144.23 15.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.862 0.363 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -160.26 125.31 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.26 137.67 2.27 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -110.43 100.55 9.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.922 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -153.06 124.72 7.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 8.8 mpt_? -119.5 173.04 7.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.1 pttt 40.35 39.73 0.73 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -118.11 138.28 13.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.3 m120 -88.02 173.3 8.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.831 0.348 . . . . 0.0 110.864 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.815 HD22 HD22 ' A' ' 49' ' ' LEU . 6.0 mt -107.77 151.16 41.02 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.578 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.78 138.52 37.96 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.723 2.282 . . . . 0.0 112.312 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -33.01 -68.24 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.524 ' O ' HD12 ' A' ' 21' ' ' ILE . 3.2 tp10 -34.14 -47.4 0.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.933 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.456 ' HA ' HD13 ' A' ' 21' ' ' ILE . 9.4 m -74.88 -39.2 61.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.871 -179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 15' ' ' PRO . 20.7 t -59.15 -52.8 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.1 tttt -38.11 -40.7 0.52 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.524 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.9 mp -60.7 -42.3 91.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 19' ' ' VAL . 85.2 mt -77.79 -46.68 20.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.506 ' HD2' HG12 ' A' ' 19' ' ' VAL . 43.9 mtt-85 -55.18 -55.11 34.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.897 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -47.83 -39.67 19.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.746 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 41.6 t90 -76.57 -39.38 52.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -59.97 -25.98 65.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 19.8 t80 -69.98 -56.85 5.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 58.1 mttt -58.31 -38.7 77.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.884 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.746 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 85.6 m-70 -98.44 3.77 48.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 26' ' ' MET . 20.7 ptt180 -36.6 -41.07 0.28 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -39.08 -65.98 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.914 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -84.55 -41.35 16.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.49 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 65.58 48.98 1.88 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.115 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -159.22 105.0 1.53 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.679 0.752 . . . . 0.0 110.934 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 168.31 21.91 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.673 2.248 . . . . 0.0 112.369 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' GLU . 17.1 t -109.46 154.06 23.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -38.61 -26.57 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.83 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mm-40 -83.56 -44.09 15.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.7 mm-40 -60.92 -55.24 35.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.2 mttt -49.81 -60.14 3.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.784 ' OE1' HD11 ' A' ' 51' ' ' LEU . 4.2 tp60 -50.14 -37.59 35.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.7 ttp -66.2 -53.23 39.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.79 -38.31 84.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 48' ' ' ASN . 3.7 t -54.28 -26.69 30.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 34.7 mm-40 -75.24 -39.8 59.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.902 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -78.44 -27.24 46.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.482 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 81.3 p -100.79 -20.35 15.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.135 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 44' ' ' SER . 18.7 t30 66.98 36.03 4.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.815 HD22 HD22 ' A' ' 14' ' ' LEU . 12.7 mt -104.29 -175.04 2.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 22.7 m -109.04 134.47 51.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.784 HD11 ' OE1' ' A' ' 41' ' ' GLN . 40.5 mt -35.15 -41.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.938 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD11 HD21 ' A' ' 56' ' ' ASN . 19.2 tp -62.24 -45.87 91.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.907 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 36.3 mt-30 -66.92 -37.96 85.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.917 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 40' ' ' LYS . 43.2 mm -55.25 -67.49 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.113 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.9 m -55.75 -50.95 69.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.404 HD21 HD11 ' A' ' 52' ' ' LEU . 38.4 m-20 -46.94 -44.87 20.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.535 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 61.5 t90 -62.94 -57.79 9.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.928 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 12.0 m-85 -43.1 -37.88 2.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 79.0 mt -53.5 -72.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.1 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.5 -43.96 96.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.636 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -60.79 -24.26 65.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.489 ' HG3' ' CD2' ' A' ' 66' ' ' LEU . 59.8 ttt-85 -79.2 -7.77 58.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 81.8 mtt180 -103.96 -11.76 17.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 64' ' ' ARG . 11.5 mtp-105 -124.91 -42.77 2.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.636 HD12 ' HB1' ' A' ' 61' ' ' ALA . 2.7 mt -77.71 -63.66 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.619 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.4 tp -39.84 -52.92 4.95 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.609 0.719 . . . . 0.0 110.939 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.79 -21.41 33.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.707 2.271 . . . . 0.0 112.336 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 64' ' ' ARG . 2.2 m-20 -80.01 -40.07 28.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 13.7 ptp -87.53 -33.62 18.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 14.4 tp -58.19 -30.72 66.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.442 ' O ' ' C ' ' A' ' 72' ' ' GLN . 33.7 mm-40 -50.96 148.76 3.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 71' ' ' GLN . 15.1 mp0 -34.27 140.28 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.3 mtp180 -95.44 -179.26 4.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 14.1 tpt85 -74.93 133.29 41.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -39.32 125.13 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -119.82 148.33 46.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.633 0.73 . . . . 0.0 110.905 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 167.52 24.24 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.735 2.29 . . . . 0.0 112.352 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.5 t -85.26 108.69 17.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -102.02 146.2 16.92 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.486 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 121.61 8.29 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.247 . . . . 0.0 112.346 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 52.6 p -159.99 148.01 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.829 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.4 t -40.93 -60.54 1.16 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.444 -0.263 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 m -60.45 -58.67 7.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.874 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.2 m -82.13 175.62 10.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 135.58 -51.61 0.82 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.449 ' C ' ' O ' ' A' ' 4' ' ' GLY . 35.2 t -34.59 -54.96 0.55 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.897 0.379 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 t -52.88 142.56 18.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.86 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.59 100.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 ttmt -133.36 157.48 45.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.913 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 27.8 mmtt -142.92 159.08 42.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.868 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 74.4 mtm180 -123.97 40.77 3.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.6 mttm -136.27 172.14 13.45 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.905 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 75.87 162.03 11.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.523 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -150.36 146.22 26.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.944 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 49' ' ' LEU . 17.6 mt -70.76 148.17 94.71 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.651 0.739 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.529 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.5 Cg_endo -69.77 145.59 57.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.358 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -46.7 -61.95 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 14.3 pt-20 -36.21 -51.36 0.77 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.863 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 59.9 p -68.17 -49.27 62.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.847 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 15' ' ' PRO . 82.5 t -46.73 -46.82 7.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -40.26 -43.66 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.955 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.452 ' HB ' ' CG2' ' A' ' 47' ' ' THR . 4.2 mp -61.97 -44.24 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.1 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.494 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 96.8 mt -71.82 -58.05 3.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 26.5 mtp180 -46.52 -55.19 7.92 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -40.4 -42.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.587 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 33.5 t90 -78.5 -42.38 29.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.708 ' HE2' ' HA ' ' A' ' 62' ' ' ARG . 3.4 ttt -57.22 -20.22 25.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 38.9 t80 -77.33 -52.06 9.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 31.9 mtpt -62.24 -46.39 89.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.587 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 18.0 m-70 -92.12 3.64 54.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.87 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.44 ' CA ' ' O ' ' A' ' 26' ' ' MET . 17.6 ptt85 -36.77 -31.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 29' ' ' HIS . 20.6 m-85 -43.49 -45.63 6.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -112.65 -27.16 8.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.877 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.15 26.98 4.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.123 179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.601 ' CE2' ' NE ' ' A' ' 62' ' ' ARG . 47.0 m-85 -131.03 91.44 36.33 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.675 0.75 . . . . 0.0 110.969 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 164.66 33.74 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.665 2.243 . . . . 0.0 112.359 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 38' ' ' GLU . 40.8 t -102.83 150.46 23.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 20.4 mt-10 -35.66 -30.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 36' ' ' SER . 24.4 mt-10 -76.02 -49.18 18.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.9 mt-10 -56.96 -54.94 40.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.512 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.0 mttt -50.56 -62.44 1.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.531 ' HB2' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.87 -47.05 5.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 31.1 ttp -55.16 -41.72 72.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 40' ' ' LYS . 6.2 mt -75.04 -38.12 61.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.0 t -50.95 -28.9 10.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -74.12 -35.14 64.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.921 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.11 -32.57 30.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.452 ' CG2' ' HB ' ' A' ' 21' ' ' ILE . 80.4 p -93.21 -12.27 30.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 62.03 30.46 17.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.87 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD22 HD22 ' A' ' 14' ' ' LEU . 19.5 mt -103.2 -176.19 3.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.945 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 51' ' ' LEU . 19.4 m -105.39 133.95 49.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.885 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.531 HD21 ' HB2' ' A' ' 41' ' ' GLN . 12.2 mt -35.43 -38.78 0.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.405 HD12 ' ND2' ' A' ' 56' ' ' ASN . 57.2 tp -64.58 -54.93 24.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.91 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.6 mt-30 -57.48 -31.77 66.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 40' ' ' LYS . 21.3 mm -65.16 -62.71 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.093 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 81.0 p -52.24 -54.19 34.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.513 ' HA ' HD12 ' A' ' 59' ' ' ILE . 13.5 m-80 -49.88 -57.5 7.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.882 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.494 ' CZ3' ' HB3' ' A' ' 22' ' ' LEU . 56.9 t90 -43.49 -52.34 6.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.486 ' O ' ' N ' ' A' ' 62' ' ' ARG . 9.9 m-85 -50.63 -40.59 53.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.513 HD12 ' HA ' ' A' ' 56' ' ' ASN . 66.3 mt -48.33 -72.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.472 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 8.5 m120 -63.42 -40.06 96.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.86 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -63.73 -23.82 67.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.107 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.708 ' HA ' ' HE2' ' A' ' 26' ' ' MET . 52.1 ttt-85 -79.48 -14.76 58.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CG ' ' O ' ' A' ' 60' ' ' ASN . 2.0 ptp180 -106.27 -3.61 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 48.5 ttp180 -126.35 -43.14 1.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.86 HD12 ' HB1' ' A' ' 61' ' ' ALA . 7.7 mt -82.41 -61.74 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.666 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.5 tp -42.52 -50.43 12.29 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.646 0.736 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.76 -19.57 35.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.73 2.287 . . . . 0.0 112.34 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 64' ' ' ARG . 25.6 t0 -86.43 -34.74 20.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.417 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 17.3 ptp -70.9 -43.54 68.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.648 HD23 ' O ' ' A' ' 66' ' ' LEU . 3.2 mm? -47.97 -53.16 16.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.7 mm-40 61.11 43.52 11.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 74' ' ' ARG . 3.1 tp60 -44.26 158.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 74' ' ' ARG . 1.1 mmp_? -34.7 -33.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.469 ' N ' ' O ' ' A' ' 72' ' ' GLN . 25.5 mmt180 -34.42 141.25 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 75' ' ' ASN . 5.0 p-10 -34.52 104.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.926 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -114.35 144.14 31.16 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.61 0.719 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 179.48 3.71 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.65 2.233 . . . . 0.0 112.308 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.3 t -69.8 137.99 52.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 174.47 157.41 15.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.532 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.31 46.42 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.696 2.264 . . . . 0.0 112.353 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.6 m -160.58 158.87 29.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.866 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 35.5 p -170.85 160.28 6.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.502 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.5 m -127.91 170.93 12.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -108.38 -50.5 3.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.16 49.72 18.09 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.483 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 t -61.1 131.57 50.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.872 0.368 . . . . 0.0 110.824 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -130.86 -48.07 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.79 132.68 5.32 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.523 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 44.5 mtmt -147.23 167.48 24.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.826 0.346 . . . . 0.0 110.975 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.463 ' N ' ' HD3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -127.26 107.37 9.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.862 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.6 ttp180 -174.78 158.99 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.92 137.84 32.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 173.6 139.91 3.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -73.15 153.05 40.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.926 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.502 HD22 HD13 ' A' ' 49' ' ' LEU . 3.8 mt -82.34 148.51 59.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.608 0.718 . . . . 0.0 110.933 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.439 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.76 138.96 39.05 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.34 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.49 -63.24 0.31 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.106 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 21' ' ' ILE . 27.8 tt0 -36.13 -55.64 0.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.574 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.8 t -66.39 -39.78 89.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.16 -53.7 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.114 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.6 tttm -39.61 -40.22 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.602 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.6 mp -64.18 -44.35 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 78.4 mt -74.53 -56.66 4.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -44.94 -57.17 3.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -41.47 -48.89 3.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.742 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 19.5 t90 -71.81 -36.94 70.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.502 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -63.87 -26.01 68.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.899 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -73.12 -53.26 11.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.941 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -63.78 -35.21 79.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.742 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 92.0 m-70 -101.93 3.64 39.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.826 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.502 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.6 ptt-85 -40.59 -28.05 0.06 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.815 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.0 m-30 -42.03 -53.78 3.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.92 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.464 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -102.8 -30.09 11.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.916 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.464 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 61.16 47.13 7.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.438 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 56.5 m-85 -160.71 104.97 1.3 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.674 0.75 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.76 166.29 28.1 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.641 2.227 . . . . 0.0 112.372 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 43.8 t -99.98 151.75 20.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -37.1 -28.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 1.0 OUTLIER -83.31 -46.35 12.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.2 mm-40 -55.44 -51.0 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.87 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.406 ' HA ' HD12 ' A' ' 43' ' ' LEU . 18.5 mttt -54.37 -65.9 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.518 ' OE1' HD11 ' A' ' 51' ' ' LEU . 6.7 tp60 -42.1 -38.22 1.62 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.942 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 12.6 ttp -64.59 -50.51 66.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 40' ' ' LYS . 5.1 mt -64.16 -44.55 91.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 5.8 t -46.66 -21.84 0.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -77.5 -41.24 40.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -78.92 -29.65 44.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.932 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 74.1 p -95.18 -29.0 14.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 73.38 35.19 0.92 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.502 HD13 HD22 ' A' ' 14' ' ' LEU . 8.0 mt -106.13 -174.88 2.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 5.0 m -107.65 134.89 49.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.518 HD11 ' OE1' ' A' ' 41' ' ' GLN . 91.5 mt -36.68 -37.29 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.412 HD11 HD21 ' A' ' 56' ' ' ASN . 40.6 tp -65.14 -45.66 84.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.7 mt-30 -68.27 -33.77 74.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 32.7 mm -59.41 -68.74 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.4 t -56.26 -43.48 78.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.412 HD21 HD11 ' A' ' 52' ' ' LEU . 66.7 m-20 -55.1 -41.9 72.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.454 ' CD1' HD12 ' A' ' 14' ' ' LEU . 16.1 t90 -66.47 -43.06 86.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.525 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 11.1 m-85 -53.52 -36.79 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 93.2 mt -58.39 -63.12 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.102 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -66.15 -29.52 69.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.644 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -79.13 -24.2 43.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.104 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.507 ' HG3' HD22 ' A' ' 66' ' ' LEU . 61.4 ttt-85 -77.58 -12.81 60.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 ptm180 -106.35 -4.71 19.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.85 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 23.4 ttp180 -125.96 -44.19 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.843 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.644 HD12 ' HB1' ' A' ' 61' ' ' ALA . 25.4 mt -84.02 -66.07 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.588 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 8.7 tp -33.53 -54.51 0.73 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.568 0.699 . . . . 0.0 110.858 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.588 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -30.43 22.31 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.303 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 65' ' ' ILE . 15.4 t70 -72.27 -29.9 64.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.838 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 7.9 ptp -89.46 -33.8 16.67 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.825 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.3 mt -51.36 -30.56 19.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.1 pt20 -52.3 171.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -75.83 48.99 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.42 -53.59 11.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.6 tpt180 -121.63 152.25 39.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -45.6 131.15 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -110.0 148.42 38.23 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.606 0.717 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 114.32 3.67 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.725 2.284 . . . . 0.0 112.335 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.6 p -78.45 149.99 33.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 158.25 -160.26 30.74 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.443 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.66 137.61 36.16 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.699 2.266 . . . . 0.0 112.353 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 42.7 t -116.78 157.93 24.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.873 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 10.5 m -164.88 171.36 14.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.511 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -153.99 141.18 19.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -134.23 175.52 9.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.87 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.1 121.25 0.59 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.3 t -141.5 119.01 11.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.902 0.382 . . . . 0.0 110.876 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -139.78 147.47 40.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.04 175.95 38.16 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.507 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 ptpt -107.18 167.48 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.858 0.361 . . . . 0.0 110.913 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -38.96 -49.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.918 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -147.83 127.01 12.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -134.97 100.34 4.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.35 -138.53 4.76 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.444 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -149.15 160.65 43.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.894 0.378 . . . . 0.0 110.888 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.516 HD12 ' CD1' ' A' ' 57' ' ' TRP . 7.5 mt -61.32 148.5 85.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.626 0.727 . . . . 0.0 110.875 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.9 Cg_endo -69.77 134.53 28.18 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.706 2.271 . . . . 0.0 112.354 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -37.23 -61.0 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 18' ' ' SER . 10.3 pt-20 -38.95 -41.75 0.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.928 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 54.4 p -80.26 -44.96 18.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.549 HG12 ' HE ' ' A' ' 23' ' ' ARG . 69.5 t -52.56 -50.06 41.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -39.66 -43.08 1.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.7 mp -59.48 -46.32 92.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.191 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 84.3 mt -71.02 -52.05 21.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.549 ' HE ' HG12 ' A' ' 19' ' ' VAL . 51.1 mtm180 -51.87 -62.54 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 6.9 t70 -37.74 -38.08 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.755 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 52.4 t90 -79.16 -47.84 15.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.4 ttm -56.2 -23.39 35.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -70.74 -50.94 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.948 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 57.6 mttt -65.28 -35.22 80.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.755 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 80.2 m-70 -99.7 3.87 45.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' O ' ' A' ' 26' ' ' MET . 28.6 ptt180 -36.47 -40.45 0.24 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.849 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 -39.62 -53.13 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -98.55 -36.79 9.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 61.46 49.07 5.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.105 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.409 ' OH ' ' NE ' ' A' ' 62' ' ' ARG . 43.7 m-85 -158.79 104.98 1.6 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.659 0.742 . . . . 0.0 110.931 -179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.565 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 54.2 Cg_endo -69.75 166.01 29.03 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.677 2.251 . . . . 0.0 112.326 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 38' ' ' GLU . 71.0 m -103.12 151.59 22.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' SER . 5.9 tt0 -35.41 -31.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 36' ' ' SER . 21.0 mt-10 -79.29 -48.47 14.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.896 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 22.6 mm-40 -52.31 -54.41 31.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.913 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -53.91 -60.17 3.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.859 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.698 ' OE1' HD11 ' A' ' 51' ' ' LEU . 12.6 tp60 -52.44 -26.6 13.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.6 ttp -77.25 -51.07 11.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.9 mt -63.65 -45.14 91.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.5 p -47.11 -26.3 1.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 -71.44 -42.76 67.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.1 mttp -76.94 -41.35 43.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.4 p -82.72 -17.92 42.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.5 m120 64.59 38.55 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.46 HD13 HD22 ' A' ' 14' ' ' LEU . 11.1 mt -111.58 -176.27 2.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.95 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.0 p -108.4 143.02 37.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.698 HD11 ' OE1' ' A' ' 41' ' ' GLN . 92.4 mt -41.21 -38.7 1.16 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.935 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.526 HD11 HD21 ' A' ' 56' ' ' ASN . 27.2 tp -60.78 -51.03 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -65.52 -38.03 88.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.845 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.8 mm -53.36 -68.04 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.126 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.1 m -59.71 -40.66 88.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.813 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.526 HD21 HD11 ' A' ' 52' ' ' LEU . 41.4 m-20 -53.36 -37.67 62.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.516 ' CD1' HD12 ' A' ' 14' ' ' LEU . 28.7 t90 -72.08 -33.74 68.15 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 14.9 m-85 -63.56 -27.28 69.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.909 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.9 mt -65.52 -64.03 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -65.23 -32.91 74.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.919 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.877 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -67.55 -57.27 6.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.108 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.656 ' HG3' HD22 ' A' ' 66' ' ' LEU . 59.4 ttp85 -57.78 -9.83 1.41 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 59.4 mtp85 -86.3 -34.73 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.27 -44.4 1.88 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.877 HD12 ' HB1' ' A' ' 61' ' ' ALA . 43.8 mt -58.96 -58.17 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.656 HD22 ' HG3' ' A' ' 62' ' ' ARG . 9.9 tp -48.34 -56.07 15.97 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.59 0.709 . . . . 0.0 110.945 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.562 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.9 Cg_endo -69.74 -1.83 9.13 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.355 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -97.73 -38.61 9.42 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.569 ' HE3' HG22 ' A' ' 65' ' ' ILE . 21.9 ptp -72.16 -37.12 69.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.51 HD12 ' HG3' ' A' ' 69' ' ' MET . 3.2 mp -65.87 -33.64 76.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 55.03 42.97 30.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 16.5 tt0 -54.41 173.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -44.46 100.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -153.82 144.15 22.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -77.33 87.94 3.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -124.09 143.61 42.99 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 110.864 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.66 45.06 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.351 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.7 m -93.11 148.27 22.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -149.85 -74.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 162.87 40.4 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.69 2.26 . . . . 0.0 112.315 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.0 m -163.64 162.38 24.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 83' ' ' GLY . 6.4 t -125.93 133.01 51.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.849 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.448 ' C ' ' O ' ' A' ' 82' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.525 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.9 m -157.79 177.54 11.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.842 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 t -143.38 170.67 15.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.48 144.8 16.86 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.451 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 52.6 m -149.92 164.43 35.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.843 0.354 . . . . 0.0 110.891 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.7 t -37.17 -62.7 0.48 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.859 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.33 153.43 17.05 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.46 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 9' ' ' LYS . 6.9 mptt -103.68 -71.23 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.486 ' HG2' HD21 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -135.86 174.53 10.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.95 157.16 16.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.869 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -94.69 171.94 8.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 172.41 169.96 35.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.507 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -121.81 156.33 33.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.865 0.364 . . . . 0.0 110.89 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.6 HD22 ' CD1' ' A' ' 49' ' ' LEU . 11.6 mt -99.4 151.87 37.59 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.625 0.726 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.436 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 137.17 34.85 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.678 2.252 . . . . 0.0 112.351 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.2 -63.32 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.14 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' ALA . 16.8 tt0 -35.11 -54.12 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.5 t -69.64 -49.53 52.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.821 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.455 ' CG1' ' HG3' ' A' ' 23' ' ' ARG . 69.4 t -45.64 -50.9 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -39.84 -41.07 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.2 mp -62.76 -48.1 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.497 HD22 ' HE2' ' A' ' 58' ' ' PHE . 67.7 mt -70.04 -56.0 8.06 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.455 ' HG3' ' CG1' ' A' ' 19' ' ' VAL . 21.9 mtp180 -46.39 -57.07 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -39.98 -46.79 2.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.891 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 33.6 t90 -74.74 -42.25 58.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.492 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -60.24 -23.17 63.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -71.16 -51.83 22.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mttp -64.47 -44.6 90.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.923 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 72.2 m-70 -92.2 3.47 55.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.873 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.492 ' CA ' ' O ' ' A' ' 26' ' ' MET . 37.2 ptt180 -37.29 -39.06 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.402 ' C ' ' O ' ' A' ' 30' ' ' ARG . 1.5 t80 -38.07 -48.78 1.25 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.597 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.7 OUTLIER -107.03 -16.03 14.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.619 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 38.3 28.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.109 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 44.1 m-85 -134.68 92.0 20.28 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.721 0.772 . . . . 0.0 110.867 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.533 ' HB3' ' CH2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.77 165.51 30.75 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.69 2.26 . . . . 0.0 112.354 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 29.0 t -103.97 151.35 23.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 36' ' ' SER . 9.1 tt0 -34.3 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 49.1 mt-10 -69.27 -54.05 16.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mm-40 -55.27 -60.5 3.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.589 ' HB3' HG21 ' A' ' 54' ' ' ILE . 15.0 mttt -45.36 -58.11 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.64 ' HG2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -48.37 -49.96 32.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.414 ' SD ' ' N ' ' A' ' 43' ' ' LEU . 7.4 tmm? -54.67 -52.46 62.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 40' ' ' LYS . 5.0 mt -61.06 -38.32 85.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 t -52.34 -21.71 3.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -75.57 -39.51 58.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.9 mptt -79.54 -39.77 31.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.0 p -84.69 -11.58 55.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.167 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 56.38 31.0 17.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.6 ' CD1' HD22 ' A' ' 14' ' ' LEU . 22.7 mt -100.33 -177.19 3.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 53' ' ' GLN . 85.6 p -104.57 133.92 48.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.64 HD11 ' HG2' ' A' ' 41' ' ' GLN . 12.2 mt -38.53 -31.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.931 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.486 HD21 ' HG2' ' A' ' 9' ' ' LYS . 26.0 tp -68.82 -45.45 71.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.932 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.5 mt-30 -68.84 -33.16 73.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.961 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 40' ' ' LYS . 33.3 mm -57.42 -67.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.4 t -52.4 -46.0 66.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -50.55 -51.45 47.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.478 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 54.3 t90 -60.36 -44.32 95.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.497 ' HE2' HD22 ' A' ' 22' ' ' LEU . 11.1 m-85 -58.29 -42.41 86.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.897 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 97.5 mt -51.85 -70.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -62.22 -46.86 86.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.471 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -59.94 -21.02 60.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.486 ' CB ' ' O ' ' A' ' 58' ' ' PHE . 0.0 OUTLIER -79.62 -17.5 53.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.849 -179.931 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.433 ' HA ' ' NH2' ' A' ' 62' ' ' ARG . 2.6 ptm180 -104.56 -2.64 24.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 33.8 ttp85 -126.0 -42.67 1.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.93 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.558 HG22 ' CE ' ' A' ' 69' ' ' MET . 2.0 mt -83.23 -67.49 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.154 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.619 HD22 ' CB ' ' A' ' 33' ' ' ALA . 11.5 tp -34.19 -54.68 0.86 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.618 0.723 . . . . 0.0 110.932 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.595 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.8 -28.48 24.99 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.704 2.269 . . . . 0.0 112.314 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.9 t70 -77.4 -24.73 50.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.851 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.558 ' CE ' HG22 ' A' ' 65' ' ' ILE . 21.3 ptp -88.86 -44.29 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 69' ' ' MET . 10.9 mt -46.85 -37.56 8.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -50.85 99.37 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -87.25 133.41 33.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 53.1 mtm180 -152.04 130.76 12.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 74' ' ' ARG . 2.4 mpt_? -91.2 112.52 24.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.85 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -157.67 125.46 5.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -120.0 88.85 41.46 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.572 0.701 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 169.77 18.17 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.675 2.25 . . . . 0.0 112.311 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 34.2 t -94.1 151.33 19.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -133.78 -165.92 11.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.472 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 102.2 1.0 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.696 2.264 . . . . 0.0 112.348 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 48.0 t -72.97 -57.38 4.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 2.7 m -129.02 120.83 26.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.474 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -70.95 -44.81 65.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.913 0.387 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m 41.59 45.42 2.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.09 86.52 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.8 p -143.36 172.46 12.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.897 0.379 . . . . 0.0 110.835 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -118.72 129.05 55.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.83 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.47 144.46 16.65 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -107.24 168.44 9.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -70.31 119.19 14.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -139.76 123.09 17.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -128.17 134.55 49.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.918 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.3 -173.74 27.33 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.518 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -101.9 160.66 14.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.844 0.354 . . . . 0.0 110.873 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.553 HD22 HD13 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -83.61 151.39 61.65 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 110.968 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.8 143.45 50.7 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.631 2.221 . . . . 0.0 112.338 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -45.76 -60.9 1.96 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.445 ' HG3' ' N ' ' A' ' 18' ' ' SER . 11.2 pt-20 -36.28 -42.47 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.548 ' O ' HG22 ' A' ' 47' ' ' THR . 10.5 p -78.91 -39.44 34.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 15' ' ' PRO . 59.4 t -55.61 -52.38 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.154 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' VAL . 19.4 tttp -35.69 -38.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.44 HG21 ' HB2' ' A' ' 46' ' ' LYS . 4.0 mp -66.91 -45.53 87.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.497 ' N ' ' O ' ' A' ' 19' ' ' VAL . 98.3 mt -72.4 -48.12 43.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.479 ' HG3' HG12 ' A' ' 19' ' ' VAL . 12.9 mtm105 -54.91 -62.6 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 23' ' ' ARG . 9.7 t0 -37.11 -44.38 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.792 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.748 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 18.4 t90 -75.15 -38.39 60.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.505 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -60.12 -28.83 68.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.831 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 61.3 t80 -70.3 -53.8 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 40.1 mtmt -59.94 -40.44 88.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.748 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 84.5 m-70 -97.89 3.56 49.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.834 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' MET . 15.9 ptt180 -38.47 -30.18 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 29' ' ' HIS . 15.9 m-85 -40.07 -46.2 2.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.61 -24.41 8.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.475 ' CB ' HD22 ' A' ' 66' ' ' LEU . . . 55.0 51.36 13.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' CZ ' ' HD3' ' A' ' 62' ' ' ARG . 47.3 m-85 -160.45 104.99 1.34 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.664 0.745 . . . . 0.0 110.926 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.565 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.78 157.3 60.8 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.663 2.242 . . . . 0.0 112.31 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.488 ' O ' ' N ' ' A' ' 38' ' ' GLU . 28.7 t -95.66 153.14 17.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 36' ' ' SER . 30.0 mt-10 -35.75 -31.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.85 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 36' ' ' SER . 34.2 mm-40 -78.96 -48.4 14.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 36' ' ' SER . 70.2 mm-40 -52.71 -53.08 52.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' C ' ' N ' ' A' ' 42' ' ' MET . 17.4 mttt -55.04 -63.31 1.2 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.575 ' NE2' HD11 ' A' ' 51' ' ' LEU . 10.7 tp60 -44.15 -22.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.412 ' N ' ' C ' ' A' ' 40' ' ' LYS . 12.8 ttp -88.15 -49.01 7.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.826 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.3 mt -62.49 -38.67 90.8 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.885 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 p -55.99 -24.24 37.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.87 -40.29 61.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HB2' HG21 ' A' ' 21' ' ' ILE . 18.0 mttm -77.42 -40.72 42.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.548 HG22 ' O ' ' A' ' 18' ' ' SER . 62.6 p -82.25 -19.86 38.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.143 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.6 t30 70.82 28.27 3.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.553 HD13 HD22 ' A' ' 14' ' ' LEU . 7.1 mt -105.67 -174.18 2.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 53' ' ' GLN . 3.1 m -114.88 137.66 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.575 HD11 ' NE2' ' A' ' 41' ' ' GLN . 7.1 mp -34.73 -43.99 0.2 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.1 tp -55.92 -45.6 78.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 50' ' ' SER . 33.8 mt-30 -73.82 -31.97 63.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -57.97 -69.69 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.15 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m -51.99 -51.25 58.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.463 ' HA ' HD12 ' A' ' 59' ' ' ILE . 64.2 m-20 -43.47 -38.76 2.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.512 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 68.0 t90 -68.96 -50.42 49.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.565 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 31.3 m-85 -52.5 -31.59 36.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.463 HD12 ' HA ' ' A' ' 56' ' ' ASN . 66.2 mt -53.63 -72.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.9 m-20 -68.88 -39.72 79.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.572 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -54.0 -48.7 70.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.402 ' O ' ' HD3' ' A' ' 67' ' ' PRO . 40.3 ttt-85 -59.66 -9.28 2.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 50.6 mtt-85 -103.76 -20.79 13.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ttt85 -125.48 12.51 8.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.572 HD12 ' HB1' ' A' ' 61' ' ' ALA . 5.6 mt -132.91 -61.38 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.623 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 10.2 tp -46.52 -52.76 28.28 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.616 0.722 . . . . 0.0 110.907 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.623 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -8.99 25.0 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.703 2.269 . . . . 0.0 112.398 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -95.38 -31.12 13.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 12.9 ptp -94.95 -39.05 10.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.8 tp -60.58 -29.51 69.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -49.9 150.44 2.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -52.18 127.13 20.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -143.73 -176.1 4.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 mmt-85 -106.03 91.83 3.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -163.69 172.25 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.54 96.37 7.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.602 0.715 . . . . 0.0 110.866 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 115.49 4.11 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 4.7 t -89.04 103.99 16.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 175.63 124.19 0.8 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.506 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -40.68 4.97 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 10.1 t 68.36 39.77 2.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 77.3 p -118.04 127.29 53.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.858 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.4 t -163.16 154.71 17.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 t -125.42 118.45 25.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.72 96.48 0.11 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.5 m -112.48 169.57 8.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.36 . . . . 0.0 110.844 -179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -101.11 -41.93 6.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.871 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.57 141.48 3.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 pttt -82.52 46.0 1.02 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -96.02 -42.73 8.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.907 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.0 ptp180 -54.54 -175.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.912 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.7 143.67 29.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -131.55 85.85 0.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.521 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -138.76 147.28 42.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.813 0.34 . . . . 0.0 110.946 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.581 HD22 ' CD2' ' A' ' 49' ' ' LEU . 17.0 mt -111.24 151.4 43.11 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.574 0.702 . . . . 0.0 110.924 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.7 Cg_endo -69.79 133.46 25.58 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.675 2.25 . . . . 0.0 112.352 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.449 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -34.05 -63.74 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.6 tt0 -36.26 -53.91 0.82 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.9 m -68.02 -48.1 66.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 20' ' ' LYS . 53.2 t -47.34 -53.61 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.125 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 19' ' ' VAL . 47.0 tttm -36.69 -41.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.82 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -63.9 -47.55 90.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.429 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 83.5 mt -69.95 -54.39 13.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 23' ' ' ARG . 9.7 mtp-105 -49.15 -61.57 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.84 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -39.26 -42.01 0.95 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 20.6 t90 -76.65 -38.67 54.2 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.487 ' O ' ' N ' ' A' ' 30' ' ' ARG . 2.6 ttt -59.42 -23.85 62.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CD2' ' HB2' ' A' ' 69' ' ' MET . 1.9 t80 -71.64 -62.37 1.44 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm -53.64 -35.68 61.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 86.6 m-70 -101.63 3.41 39.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.836 ' HD2' HD12 ' A' ' 70' ' ' LEU . 16.1 ptt180 -41.58 -30.25 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.849 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -42.86 -44.21 4.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -114.26 -26.63 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.718 ' HB3' ' HD2' ' A' ' 62' ' ' ARG . . . 57.01 48.35 15.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.418 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 47.9 m-85 -159.85 105.03 1.43 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.727 0.775 . . . . 0.0 110.946 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 34' ' ' TYR . 53.8 Cg_endo -69.78 172.64 12.28 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.38 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 38' ' ' GLU . 9.2 t -106.32 150.73 25.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -37.64 -27.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.9 mt-10 -80.59 -49.34 11.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 36' ' ' SER . 48.9 mt-10 -57.55 -53.1 61.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.893 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 mttt -49.7 -56.29 10.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' A' ' 51' ' ' LEU . 11.0 tp60 -53.35 -34.5 57.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 28.2 ttp -69.51 -53.37 19.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -59.61 -46.13 89.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.88 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.18 -26.58 0.32 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 76.4 mt-10 -72.52 -40.78 66.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.97 -38.29 32.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 71.2 p -87.8 -19.72 27.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' A' ' 44' ' ' SER . 86.3 m-20 63.37 38.54 10.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.833 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.581 ' CD2' HD22 ' A' ' 14' ' ' LEU . 15.3 mt -109.09 -175.95 2.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.947 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.0 m -107.38 134.17 50.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.84 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.582 HD11 ' OE1' ' A' ' 41' ' ' GLN . 97.9 mt -34.84 -41.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.955 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.0 tp -60.76 -47.2 87.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 50' ' ' SER . 25.2 mt-30 -65.13 -38.56 91.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.417 HD12 HD21 ' A' ' 22' ' ' LEU . 44.7 mm -54.18 -68.47 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.6 t -54.12 -46.73 72.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 59' ' ' ILE . 74.2 m-20 -51.21 -53.08 38.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.554 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 62.5 t90 -54.0 -44.41 70.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -56.58 -33.12 65.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 56' ' ' ASN . 69.2 mt -54.56 -72.3 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -61.32 -44.4 97.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.54 ' O ' ' N ' ' A' ' 65' ' ' ILE . . . -52.98 -43.14 66.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.773 ' HG3' HD22 ' A' ' 66' ' ' LEU . 50.2 ttp85 -65.44 -2.25 3.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.863 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 75.8 mtt-85 -103.6 -27.8 12.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -125.46 -43.63 1.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.872 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.554 HD12 ' CZ2' ' A' ' 57' ' ' TRP . 5.8 mt -68.27 -57.75 8.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.174 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.773 HD22 ' HG3' ' A' ' 62' ' ' ARG . 12.1 tp -46.02 -54.02 18.94 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.621 0.725 . . . . 0.0 110.873 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.607 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 54.0 Cg_endo -69.79 -8.49 23.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.635 2.224 . . . . 0.0 112.352 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -89.79 -47.29 8.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.521 ' HB2' ' CD2' ' A' ' 27' ' ' TYR . 17.1 ptp -74.34 -33.82 63.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.836 HD12 ' HD2' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -49.75 -45.41 49.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.925 179.939 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.452 ' CD ' ' O ' ' A' ' 71' ' ' GLN . 0.0 OUTLIER -107.56 48.02 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.914 179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -97.64 173.47 7.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.7 mtt180 61.44 45.87 8.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.8 mmm-85 -59.65 125.63 24.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 53.43 41.45 32.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 77' ' ' PRO . 18.5 t70 -95.17 140.05 22.28 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.562 0.696 . . . . 0.0 110.903 179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 76' ' ' ASP . 53.4 Cg_endo -69.8 162.43 42.11 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.658 2.239 . . . . 0.0 112.331 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.6 t -49.51 146.99 3.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -48.93 145.95 6.51 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.425 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -24.05 29.96 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.721 2.28 . . . . 0.0 112.311 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.5 m -46.38 -56.4 5.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.2 m 48.24 43.11 18.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.861 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -110.82 95.9 5.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.934 0.397 . . . . 0.0 110.836 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.4 t -124.91 -57.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.44 107.07 3.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.4 m -63.04 140.29 58.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -40.18 106.25 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.98 -127.55 0.66 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.501 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.99 155.2 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.817 0.341 . . . . 0.0 110.897 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -139.6 114.8 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 tpp180 -132.58 155.16 49.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 12' ' ' GLY . 11.8 tmtt? -101.51 144.58 30.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.458 ' N ' ' HD3' ' A' ' 11' ' ' LYS . . . 137.03 172.06 12.4 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.497 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -64.63 166.54 8.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 49' ' ' LEU . 2.6 mt -91.29 151.58 43.01 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.926 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.554 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.4 Cg_endo -69.82 141.5 45.15 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.695 2.263 . . . . 0.0 112.33 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -41.52 -61.48 1.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.076 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.505 ' O ' HD12 ' A' ' 21' ' ' ILE . 9.9 pt-20 -36.47 -45.97 0.53 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.56 ' HA ' HD13 ' A' ' 21' ' ' ILE . 4.1 t -76.09 -38.86 56.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 15' ' ' PRO . 58.6 t -54.86 -53.42 33.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.154 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.8 ttmt -39.51 -43.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.56 HD13 ' HA ' ' A' ' 18' ' ' SER . 4.6 mp -60.63 -49.68 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.05 -56.41 8.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.979 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' NE ' HG12 ' A' ' 19' ' ' VAL . 53.5 mtm180 -46.12 -59.66 2.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -37.07 -42.51 0.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.531 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 72.7 t90 -75.54 -54.97 6.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.501 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 3.1 ttt -48.54 -19.06 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.863 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 56.2 t80 -75.11 -49.58 19.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.954 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -66.73 -36.57 82.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.91 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.531 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.4 m-70 -101.67 4.03 40.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.821 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.501 ' CA ' ' O ' ' A' ' 26' ' ' MET . 34.5 ptt180 -36.48 -29.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.847 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.5 t80 -54.7 -48.8 72.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.9 -38.32 7.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.469 ' HB3' ' NE ' ' A' ' 62' ' ' ARG . . . 57.43 37.39 27.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.107 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -134.99 89.74 23.53 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.671 0.748 . . . . 0.0 110.908 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 145.88 58.34 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.683 2.255 . . . . 0.0 112.326 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 37.3 t -86.15 153.92 21.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' SER . 6.6 mm-40 -33.1 -42.63 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -64.31 -50.94 65.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 36' ' ' SER . 7.1 mm-40 -53.73 -54.05 43.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' HB2' HD22 ' A' ' 51' ' ' LEU . 12.8 mttt -56.01 -60.56 3.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.884 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.582 ' OE1' HD11 ' A' ' 51' ' ' LEU . 4.4 tp60 -51.73 -34.61 39.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.922 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 14.3 ttp -68.37 -52.82 28.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.7 mt -61.23 -44.01 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.2 t -48.1 -23.85 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -71.06 -36.31 72.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.73 -32.85 18.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 53.8 p -89.19 -24.06 22.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 44' ' ' SER . 7.0 t-20 67.38 30.45 6.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.498 HD22 HD22 ' A' ' 14' ' ' LEU . 20.4 mt -101.22 -177.25 3.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.894 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLN . 58.1 m -106.34 137.45 44.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.582 HD11 ' OE1' ' A' ' 41' ' ' GLN . 39.1 mt -38.31 -38.0 0.33 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.931 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 19.1 tp -64.39 -48.45 75.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.4 ' N ' ' O ' ' A' ' 50' ' ' SER . 30.5 mt-30 -65.0 -41.24 95.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 42.8 mm -49.27 -68.52 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -56.37 -45.96 80.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 29.5 m-20 -49.01 -38.62 24.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 23.1 t90 -74.65 -41.63 59.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -57.42 -31.98 66.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.863 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 89.3 mt -64.39 -69.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -55.92 -28.36 56.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.737 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -75.76 -42.29 50.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.116 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.469 ' NE ' ' HB3' ' A' ' 33' ' ' ALA . 57.5 ttt-85 -66.96 -0.9 3.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.8 mtp-105 -103.35 -25.7 13.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.899 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -125.67 -43.88 1.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.737 HD12 ' HB1' ' A' ' 61' ' ' ALA . 8.4 mt -67.03 -58.85 4.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.073 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.758 ' O ' HD23 ' A' ' 70' ' ' LEU . 12.3 tp -45.71 -54.01 17.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.79 -9.02 25.07 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.645 2.23 . . . . 0.0 112.322 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.451 ' OD1' ' C ' ' A' ' 68' ' ' ASP . 14.8 t0 -90.05 -38.67 13.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 21.9 ptp -73.81 -44.02 57.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.758 HD23 ' O ' ' A' ' 66' ' ' LEU . 3.3 mm? -40.63 -43.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -48.85 176.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 61.88 44.27 8.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -140.95 150.72 43.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.831 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -100.2 31.83 3.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.906 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -71.68 114.37 9.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 -108.55 146.72 34.26 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.611 0.719 . . . . 0.0 110.872 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 169.72 18.24 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.679 2.253 . . . . 0.0 112.318 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 60.7 p -104.21 158.92 16.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.903 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -47.97 160.19 0.54 Allowed Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 2.82 3.22 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.657 2.238 . . . . 0.0 112.337 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.1 t -40.17 98.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.5 m -167.0 144.55 4.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.851 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.247 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.466 179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -166.59 147.26 6.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 t -165.61 139.81 4.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.871 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.09 161.54 29.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.507 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 m -172.08 139.91 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 0.0 110.884 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.2 m -131.67 -61.59 0.89 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.847 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.12 140.49 6.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 34.0 ttmt -101.64 90.92 4.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.843 0.354 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 8.2 mmpt? -102.96 107.55 18.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.34 28.59 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -118.84 155.42 31.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 99.02 132.16 7.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.466 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -117.4 167.68 11.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.859 0.361 . . . . 0.0 110.913 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.551 HD22 HD13 ' A' ' 49' ' ' LEU . 5.1 mt -100.07 148.13 34.43 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.624 0.726 . . . . 0.0 110.939 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.79 142.82 48.85 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.645 2.23 . . . . 0.0 112.387 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.19 -67.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.062 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.611 ' O ' HD12 ' A' ' 21' ' ' ILE . 22.6 tt0 -35.13 -57.48 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.478 ' HA ' HD13 ' A' ' 21' ' ' ILE . 2.9 t -59.63 -47.18 86.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 63.4 t -52.33 -53.67 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -39.25 -40.46 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 17' ' ' GLU . 3.7 mp -62.7 -50.35 80.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.126 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.435 ' CD2' HD13 ' A' ' 43' ' ' LEU . 91.9 mt -68.74 -54.83 13.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -46.76 -61.37 1.87 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -39.13 -43.41 1.05 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.84 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.618 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 34.6 t90 -74.48 -40.85 61.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.508 ' O ' ' N ' ' A' ' 30' ' ' ARG . 0.9 OUTLIER -55.99 -29.32 60.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.889 179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -65.71 -51.89 55.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -57.06 -49.33 76.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.618 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 8.3 m-70 -90.74 4.01 52.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.508 ' N ' ' O ' ' A' ' 26' ' ' MET . 27.6 ptt-85 -36.33 -41.18 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 37.7 m-85 -43.88 -49.95 8.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.513 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 10.0 ptpt -98.2 -45.34 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.644 ' HB1' ' HG2' ' A' ' 62' ' ' ARG . . . 72.43 50.39 0.19 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.134 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.455 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 43.8 m-85 -161.15 104.96 1.24 Allowed Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.636 0.731 . . . . 0.0 110.977 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.43 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.74 166.38 27.76 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.691 2.261 . . . . 0.0 112.369 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.6 m -98.77 153.45 18.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -40.11 -25.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 36' ' ' SER . 6.0 mp0 -86.22 -47.83 9.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -50.73 -50.42 55.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -56.78 -66.11 0.5 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -43.28 -28.42 0.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 16.3 ttp -77.11 -48.99 16.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' CD2' ' A' ' 22' ' ' LEU . 5.7 mt -65.38 -44.22 88.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.2 p -49.54 -23.66 1.73 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -74.96 -43.69 52.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.937 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 24.7 mttp -75.86 -41.02 53.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 80.1 p -81.71 -22.6 37.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.146 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 34.3 t-20 71.2 29.3 2.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.551 HD13 HD22 ' A' ' 14' ' ' LEU . 9.8 mt -103.85 -174.61 2.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.946 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 53' ' ' GLN . 6.0 m -114.41 134.84 54.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.836 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.639 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.9 mp -33.34 -40.54 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.474 HD11 HD21 ' A' ' 56' ' ' ASN . 28.5 tp -57.73 -48.46 79.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.923 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 50' ' ' SER . 13.1 mt-30 -72.54 -31.16 65.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.37 -68.58 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.135 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.7 t -57.07 -48.76 77.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.823 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.804 ' HA ' HD12 ' A' ' 59' ' ' ILE . 59.5 m-20 -49.08 -40.93 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.409 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 34.6 t90 -65.03 -45.67 84.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -54.5 -37.62 65.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.911 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 56' ' ' ASN . 55.1 mt -51.08 -64.09 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -67.94 -30.16 69.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.691 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -63.9 -38.92 92.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.094 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.644 ' HG2' ' HB1' ' A' ' 33' ' ' ALA . 15.6 mtp-105 -69.87 -0.16 6.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 46.4 mtt180 -103.36 -23.91 13.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 tmt_? -125.38 -43.51 1.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.865 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.691 HD12 ' HB1' ' A' ' 61' ' ' ALA . 25.9 mt -72.91 -62.85 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.157 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.649 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 2.6 tp -41.09 -51.7 7.49 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.914 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.649 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.78 -21.12 33.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.656 2.237 . . . . 0.0 112.351 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 65' ' ' ILE . 2.4 m-20 -82.06 -35.63 28.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.835 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . . . . . . . . . 11.8 ptp -89.25 -36.03 15.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 22.0 tp -68.51 -48.91 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -44.03 112.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.908 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -121.53 102.56 8.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -47.04 -50.97 18.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 31.7 mtp180 -56.15 146.77 22.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 66.1 t30 -93.66 118.66 31.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.917 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.51 145.56 31.53 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.532 0.682 . . . . 0.0 110.899 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 87.15 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.731 2.287 . . . . 0.0 112.338 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 31.3 t -88.93 152.91 21.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -119.49 76.75 0.31 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.472 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 164.97 32.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.335 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.5 p -150.07 152.43 34.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.867 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 98.3 p -145.11 164.77 30.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.856 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.498 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.2 p -118.5 130.35 55.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.924 0.392 . . . . 0.0 110.869 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.3 t -124.24 -51.59 1.76 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 104.57 164.12 24.38 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.46 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -127.91 150.92 49.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.877 0.37 . . . . 0.0 110.87 -179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -164.09 125.17 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.844 -179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.8 124.62 8.06 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.489 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -142.05 158.7 43.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.821 0.344 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.3 mtpm? -106.9 122.86 47.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -162.3 150.43 14.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.72 159.78 24.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.07 144.51 3.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.45 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -98.52 140.75 32.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.835 0.35 . . . . 0.0 110.893 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.652 HD12 ' CD1' ' A' ' 57' ' ' TRP . 10.5 mt -77.03 149.92 80.41 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.657 0.741 . . . . 0.0 110.938 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.462 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.6 Cg_endo -69.75 134.33 27.74 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.66 2.24 . . . . 0.0 112.387 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.462 ' C ' ' O ' ' A' ' 15' ' ' PRO . . . -33.02 -59.53 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.076 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.508 ' O ' HD12 ' A' ' 21' ' ' ILE . 23.8 tt0 -41.05 -52.26 3.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.921 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.575 ' HA ' HD13 ' A' ' 21' ' ' ILE . 67.3 m -70.49 -32.73 70.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.801 -179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 15' ' ' PRO . 98.0 t -61.49 -52.31 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tttm -39.27 -43.77 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.0 mp -58.39 -47.05 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.077 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.0 mt -71.54 -53.88 12.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.93 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.4 mtm180 -48.28 -60.56 2.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -39.15 -41.67 0.86 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.657 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 67.5 t90 -74.54 -51.9 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.443 ' O ' ' N ' ' A' ' 30' ' ' ARG . 3.3 ttt -48.07 -22.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.845 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.456 ' O ' ' CD ' ' A' ' 30' ' ' ARG . 20.1 t80 -70.46 -49.56 47.3 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.946 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 28.6 mttp -61.7 -36.86 82.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.901 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.657 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 7.1 m-70 -100.47 4.21 43.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 179.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.456 ' CD ' ' O ' ' A' ' 27' ' ' TYR . 5.4 ptm180 -36.19 -34.07 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' N ' ' O ' ' A' ' 29' ' ' HIS . 3.2 m-30 -55.45 -49.45 72.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.883 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.485 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 0.5 OUTLIER -95.85 -47.1 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.899 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.529 ' O ' ' CG ' ' A' ' 34' ' ' TYR . . . 71.27 51.49 0.27 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.087 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.529 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 91.7 m-85 -163.03 105.01 1.01 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.729 0.776 . . . . 0.0 110.931 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HA ' ' CZ2' ' A' ' 25' ' ' TRP . 53.8 Cg_endo -69.76 166.52 27.33 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.684 2.256 . . . . 0.0 112.322 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 38' ' ' GLU . 75.4 m -102.58 153.42 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -37.11 -29.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' SER . 25.5 mt-10 -80.62 -47.31 14.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.896 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 36' ' ' SER . 10.4 mm-40 -54.29 -54.05 45.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.916 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -52.15 -61.07 2.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.722 ' OE1' HD11 ' A' ' 51' ' ' LEU . 17.2 tp60 -52.35 -31.44 33.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 17.9 ttp -70.42 -51.88 26.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 5.5 mt -63.99 -41.24 97.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.913 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.7 t -48.92 -22.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 64.5 mt-10 -76.72 -41.73 44.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -79.84 -33.57 40.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 46.2 p -92.53 -21.29 20.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 4.8 m120 63.97 38.13 8.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.587 ' CD2' HD22 ' A' ' 14' ' ' LEU . 13.4 mt -107.92 -178.24 3.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . 50.3 m -105.75 134.4 48.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.722 HD11 ' OE1' ' A' ' 41' ' ' GLN . 73.3 mt -34.91 -39.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.8 tp -60.9 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.894 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 50' ' ' SER . 27.4 mt-30 -64.53 -40.9 96.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 43.7 mm -49.96 -67.94 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -55.51 -43.71 75.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.475 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 41.6 m-20 -54.23 -39.4 66.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.652 ' CD1' HD12 ' A' ' 14' ' ' LEU . 6.6 t90 -72.04 -31.11 65.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.879 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.411 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 10.7 m-85 -69.22 -31.32 69.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 76.8 mt -65.6 -70.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 56' ' ' ASN . 0.7 OUTLIER -55.81 -42.9 76.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.749 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -58.71 -41.43 86.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.111 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.544 ' HG3' HD22 ' A' ' 66' ' ' LEU . 62.6 ttp85 -63.65 -4.35 2.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 38.7 mtm180 -90.62 -31.85 16.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -125.34 -43.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.749 HD12 ' HB1' ' A' ' 61' ' ' ALA . 3.3 mt -60.27 -62.55 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.652 ' O ' HD13 ' A' ' 70' ' ' LEU . 7.0 tp -44.86 -55.71 10.26 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.632 0.73 . . . . 0.0 110.922 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.8 Cg_endo -69.74 -9.04 25.13 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -93.18 -33.1 14.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.871 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.441 ' HE3' HG22 ' A' ' 65' ' ' ILE . 11.6 ptp -75.5 -24.06 56.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.879 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 66' ' ' LEU . 8.8 mp -67.67 -46.38 72.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.916 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -50.57 161.72 0.3 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -47.48 126.59 10.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 74' ' ' ARG . 5.5 tpt180 -148.85 163.18 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 73' ' ' ARG . 15.9 ttm180 -37.81 -65.45 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 29.1 p30 -51.49 159.85 0.67 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.878 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -101.93 105.39 41.57 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.583 0.706 . . . . 0.0 110.897 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 136.04 32.07 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.676 2.251 . . . . 0.0 112.361 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 10.3 m -54.66 148.53 12.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.832 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -113.42 69.69 0.23 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.521 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 135.29 30.18 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.674 2.249 . . . . 0.0 112.371 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.5 t -107.18 154.12 21.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 14.9 t -40.02 -53.44 2.38 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.518 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -115.46 88.33 2.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.876 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.0 m -147.16 171.3 15.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.35 137.98 5.82 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 m -163.11 148.66 11.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.85 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.7 p -170.62 162.1 7.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.882 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.85 130.69 1.43 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -151.12 173.09 14.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.895 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -153.74 119.36 5.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.914 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 49.1 mmm-85 -143.29 159.61 42.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.834 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -127.78 171.07 12.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 108.57 171.18 21.2 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.2 m120 -76.21 175.41 9.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.866 0.365 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.575 HD12 ' CD1' ' A' ' 57' ' ' TRP . 5.7 mt -108.52 151.49 41.63 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.618 0.723 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 19' ' ' VAL . 54.0 Cg_endo -69.75 133.85 26.59 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.697 2.265 . . . . 0.0 112.388 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -35.12 -64.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.059 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.543 ' O ' HD12 ' A' ' 21' ' ' ILE . 12.6 tt0 -37.02 -53.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.563 ' HA ' HD13 ' A' ' 21' ' ' ILE . 67.7 m -68.13 -35.06 77.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.828 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 16' ' ' ALA . 87.9 t -59.21 -50.99 77.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.088 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -41.29 -44.5 2.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.963 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.59 ' H ' HD12 ' A' ' 21' ' ' ILE . 5.0 mp -58.98 -44.72 91.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.51 ' HB3' ' CZ3' ' A' ' 57' ' ' TRP . 73.7 mt -71.5 -55.83 7.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' O ' ' C ' ' A' ' 24' ' ' ASP . 39.2 mtp180 -48.8 -59.27 3.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' ARG . 8.8 t0 -37.65 -46.88 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.838 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.736 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 24.6 t90 -73.9 -39.59 63.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.483 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 4.2 ttm -60.83 -26.31 67.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -71.16 -53.73 13.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.894 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 45.3 mttm -60.92 -40.99 95.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.909 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.736 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 83.1 m-70 -96.51 3.26 52.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.483 ' CA ' ' O ' ' A' ' 26' ' ' MET . 24.3 ptt180 -39.68 -37.02 0.47 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.445 ' C ' ' O ' ' A' ' 30' ' ' ARG . 23.3 m-85 -34.82 -40.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -120.46 -27.56 5.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 58.78 50.5 8.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' HA ' ' HD2' ' A' ' 35' ' ' PRO . 38.4 m-85 -157.8 105.03 1.77 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.68 0.753 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.491 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.9 Cg_endo -69.73 171.93 13.54 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.722 2.281 . . . . 0.0 112.346 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.3 t -110.41 153.1 25.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 36' ' ' SER . 66.6 mt-10 -35.86 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -80.12 -49.06 12.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 36' ' ' SER . 46.4 mm-40 -54.55 -49.96 69.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -57.33 -64.11 1.0 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' NE2' HD11 ' A' ' 51' ' ' LEU . 11.0 tp60 -44.8 -27.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 5.9 tmm? -79.43 -49.45 12.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.1 mt -62.51 -44.91 95.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.449 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -44.69 -28.18 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.68 -38.78 58.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -77.54 -35.69 53.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.84 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.418 HG22 ' O ' ' A' ' 18' ' ' SER . 70.9 p -94.18 -20.81 19.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.128 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.449 ' N ' ' O ' ' A' ' 44' ' ' SER . 11.9 m-80 69.45 35.77 2.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.575 ' CD1' HD22 ' A' ' 14' ' ' LEU . 12.9 mt -111.23 -174.81 2.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 51' ' ' LEU . 18.0 m -112.43 135.89 52.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.667 ' H ' HD12 ' A' ' 51' ' ' LEU . 7.6 mp -33.94 -42.28 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 47.6 tp -56.06 -52.17 65.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 50' ' ' SER . 22.9 mt-30 -68.21 -32.12 72.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 40.0 mm -60.27 -66.85 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.066 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.9 t -54.24 -53.96 46.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.53 ' HA ' HD12 ' A' ' 59' ' ' ILE . 15.3 m-80 -47.38 -37.93 12.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.575 ' CD1' HD12 ' A' ' 14' ' ' LEU . 42.5 t90 -67.0 -52.52 41.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.938 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 17.4 m-85 -47.0 -32.52 3.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.925 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.53 HD12 ' HA ' ' A' ' 56' ' ' ASN . 63.8 mt -66.71 -70.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.121 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -62.68 -16.8 58.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.715 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -81.66 -51.88 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.509 ' HB2' HD22 ' A' ' 66' ' ' LEU . 2.6 ptt85 -69.38 -1.13 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' HB3' ' NH1' ' A' ' 63' ' ' ARG . 11.6 mtp-105 -91.52 -27.4 18.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.34 -6.85 7.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.715 HD12 ' HB1' ' A' ' 61' ' ' ALA . 43.1 mt -110.48 -40.03 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.122 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.713 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 5.2 tp -50.79 -47.45 85.78 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.593 0.711 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.713 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.3 Cg_endo -69.83 -18.37 36.7 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.363 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.478 ' O ' ' CG ' ' A' ' 71' ' ' GLN . 2.2 m-20 -81.06 -50.03 10.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.446 ' HE3' ' SD ' ' A' ' 26' ' ' MET . 18.6 ptp -60.13 -46.61 89.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.463 HD23 ' O ' ' A' ' 66' ' ' LEU . 4.0 mm? -55.68 -25.48 39.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.478 ' CG ' ' O ' ' A' ' 68' ' ' ASP . 47.7 mm-40 -39.39 159.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.439 ' O ' ' C ' ' A' ' 73' ' ' ARG . 16.4 mm-40 74.58 54.79 0.08 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.983 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 72' ' ' GLN . 80.7 mtt85 -34.96 150.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.84 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 73' ' ' ARG . 14.0 ttm180 -37.08 136.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -115.67 -57.08 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -97.56 139.65 21.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.584 0.707 . . . . 0.0 110.9 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 124.03 10.69 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.324 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 79' ' ' GLY . 70.2 p -107.35 151.65 25.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' SER . . . -35.66 145.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.496 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -50.74 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.638 2.225 . . . . 0.0 112.345 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 99.3 p -166.06 172.26 11.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 5.0 m -99.36 145.38 27.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.85 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.534 -179.937 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -48.67 111.41 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.863 0.363 . . . . 0.0 110.856 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 m -144.82 153.34 41.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 156.06 132.81 1.58 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.501 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -170.47 148.6 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.918 0.39 . . . . 0.0 110.843 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.3 t -101.28 99.64 10.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.57 -158.07 34.26 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' LYS . 13.7 tptt -130.7 134.54 47.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 8' ' ' LYS . 33.4 tttm -37.34 116.85 0.5 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ptt180 -105.05 -45.93 4.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.86 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.0 pttt -125.24 -176.27 3.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.25 -90.36 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.46 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 m-20 -79.34 174.57 11.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -85.56 152.64 57.67 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.639 0.733 . . . . 0.0 110.884 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.603 ' O ' HG23 ' A' ' 19' ' ' VAL . 53.6 Cg_endo -69.75 135.95 31.78 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.349 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -36.74 -64.65 0.33 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.06 -51.64 0.54 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.504 ' HA ' HD13 ' A' ' 21' ' ' ILE . 56.0 m -72.0 -35.63 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.812 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 15' ' ' PRO . 59.9 t -59.86 -52.76 57.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.095 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.7 ttmp? -38.82 -38.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.9 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 18' ' ' SER . 4.1 mp -64.12 -43.69 97.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 19' ' ' VAL . 95.8 mt -74.97 -48.47 24.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.948 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' HG2' HG21 ' A' ' 65' ' ' ILE . 44.1 mtm180 -53.95 -59.88 4.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -39.78 -46.95 2.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.752 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 19.6 t90 -71.84 -37.3 70.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.946 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.495 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.7 OUTLIER -60.57 -30.4 69.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.917 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -69.79 -49.85 48.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -60.5 -47.1 87.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.752 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 68.1 m-70 -93.56 3.54 55.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.495 ' CA ' ' O ' ' A' ' 26' ' ' MET . 30.4 ptt180 -40.4 -33.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.83 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' C ' ' O ' ' A' ' 30' ' ' ARG . 22.2 m-85 -37.98 -42.65 0.65 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.403 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.436 ' CB ' ' HG3' ' A' ' 62' ' ' ARG . . . 59.5 51.57 6.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.1 m-85 -159.83 104.98 1.44 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.655 0.74 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.6 Cg_endo -69.76 167.0 25.7 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.733 2.289 . . . . 0.0 112.311 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.2 t -105.2 151.92 23.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.422 ' C ' ' O ' ' A' ' 36' ' ' SER . 47.3 mm-40 -34.88 -32.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 36' ' ' SER . 9.2 mt-10 -78.21 -48.03 16.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 36' ' ' SER . 40.7 mm-40 -54.45 -52.64 61.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.461 ' HB2' HD13 ' A' ' 51' ' ' LEU . 18.8 mttt -55.0 -66.44 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.574 ' NE2' HD21 ' A' ' 51' ' ' LEU . 7.0 tp60 -44.33 -27.88 0.48 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 26.1 ttp -79.02 -49.35 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.2 mt -62.62 -40.82 98.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.937 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.7 t -51.66 -22.71 3.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -78.48 -40.57 35.08 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.481 ' HB2' HG21 ' A' ' 21' ' ' ILE . 15.2 mtpt -76.8 -41.02 46.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.437 HG22 ' O ' ' A' ' 18' ' ' SER . 71.3 p -85.31 -26.92 26.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.158 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.0 t30 74.47 34.67 0.76 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.51 HD22 HD22 ' A' ' 14' ' ' LEU . 11.3 mt -106.59 -175.12 2.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 56.1 m -107.1 141.34 38.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.574 HD21 ' NE2' ' A' ' 41' ' ' GLN . 0.3 OUTLIER -45.15 -26.64 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.944 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' O ' ' CG ' ' A' ' 56' ' ' ASN . 19.0 tp -74.12 -42.48 59.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.86 -33.18 65.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.951 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 46.2 mm -57.01 -69.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -52.77 -46.11 67.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.845 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.418 ' CG ' ' O ' ' A' ' 52' ' ' LEU . 52.3 m-20 -51.88 -48.42 64.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.463 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 47.0 t90 -57.74 -47.99 80.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.439 ' CE2' ' HG3' ' A' ' 35' ' ' PRO . 18.1 m-85 -52.57 -31.83 37.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 67.9 mt -55.37 -72.33 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.189 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -69.65 -19.46 63.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.897 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -80.35 -27.19 38.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.076 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.436 ' HG3' ' CB ' ' A' ' 33' ' ' ALA . 43.1 ttp85 -79.32 -14.45 58.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.2 ptp180 -105.3 -4.93 20.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 38.7 ttp180 -125.77 -43.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.897 HD12 ' HB1' ' A' ' 61' ' ' ALA . 10.0 mt -82.95 -66.73 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.124 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.603 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 15.2 tp -34.93 -53.72 1.06 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.608 0.718 . . . . 0.0 110.91 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.6 Cg_endo -69.76 -31.05 21.26 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.737 2.291 . . . . 0.0 112.327 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 65' ' ' ILE . 14.5 t70 -72.44 -28.69 63.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.825 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.664 ' HE2' HG22 ' A' ' 65' ' ' ILE . 17.5 ptp -91.57 -31.71 15.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.446 HD11 HD11 ' A' ' 66' ' ' LEU . 10.8 mt -63.93 -45.72 87.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.42 ' C ' ' OE1' ' A' ' 71' ' ' GLN . 1.0 OUTLIER -58.74 -33.84 70.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.885 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 42.8 mm-40 -63.08 143.85 57.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -52.64 173.01 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.2 ptp85 -138.93 157.18 46.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -129.69 46.73 2.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -127.5 122.19 22.64 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.595 0.712 . . . . 0.0 110.858 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -178.15 2.2 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 23.1 t -62.71 118.07 7.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -65.71 -72.44 0.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.521 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 172.15 13.21 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.643 2.229 . . . . 0.0 112.301 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.4 m -107.57 144.54 34.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 57.4 p -163.47 148.97 11.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.844 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.468 -179.974 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.474 -0.251 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t -171.2 154.98 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -110.02 -52.55 2.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 53.14 -165.14 1.81 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.472 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.5 p -121.96 174.64 6.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.914 0.387 . . . . 0.0 110.863 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -147.77 158.88 44.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.877 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -172.6 133.35 2.63 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.513 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.7 mttt -149.89 128.2 12.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.85 0.357 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.8 18.11 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -95.48 119.75 34.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -68.6 154.77 41.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 146.29 134.02 2.57 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.47 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -43.64 146.53 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.505 HD22 HD22 ' A' ' 49' ' ' LEU . 7.0 mt -77.39 151.13 80.58 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.596 0.712 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 139.54 40.34 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.602 2.202 . . . . 0.0 112.353 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -42.49 -63.08 0.83 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' C ' ' O ' ' A' ' 16' ' ' ALA . 13.5 pt-20 -35.24 -47.19 0.39 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.862 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.405 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 37.7 m -73.93 -47.08 40.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.796 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 76.7 t -48.42 -49.89 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -38.3 -40.0 0.49 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 3.8 mp -65.11 -47.95 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.138 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.546 HD23 HD13 ' A' ' 43' ' ' LEU . 70.8 mt -69.06 -54.27 15.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.785 ' HE ' HD13 ' A' ' 65' ' ' ILE . 69.1 mtt180 -49.31 -58.12 5.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -38.79 -48.29 1.5 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.747 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 18.1 t90 -75.4 -36.84 60.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.497 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -64.23 -27.16 68.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.852 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 66.6 t80 -69.96 -57.17 5.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.928 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.4 mtmt -59.68 -44.28 93.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.747 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 88.9 m-70 -91.93 3.43 55.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' CA ' ' O ' ' A' ' 26' ' ' MET . 26.0 ptt-85 -40.69 -40.15 1.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 30' ' ' ARG . 15.5 m-85 -37.66 -41.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.47 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 1.3 ptpt -112.83 -31.02 6.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.905 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . 52.55 31.61 10.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.096 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CD2' ' O ' ' A' ' 32' ' ' LYS . 46.4 m-85 -133.94 92.01 23.24 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.689 0.757 . . . . 0.0 110.948 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.455 ' HG3' ' CE2' ' A' ' 58' ' ' PHE . 53.3 Cg_endo -69.74 166.11 28.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.667 2.245 . . . . 0.0 112.326 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.483 ' O ' ' N ' ' A' ' 38' ' ' GLU . 3.3 t -104.47 151.69 23.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 19.7 mt-10 -35.54 -31.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.926 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' SER . 4.6 mp0 -76.39 -50.52 13.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.942 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 36' ' ' SER . 62.1 mm-40 -54.59 -52.01 63.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.451 ' HB3' HG21 ' A' ' 54' ' ' ILE . 17.0 mttt -54.91 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.78 ' OE1' HD11 ' A' ' 51' ' ' LEU . 52.0 tp60 -45.66 -41.77 10.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.948 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 22.2 ttp -59.73 -52.04 67.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.546 HD13 HD23 ' A' ' 22' ' ' LEU . 11.2 mt -64.04 -38.27 90.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.943 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.6 t -53.93 -23.69 13.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -74.75 -36.81 62.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -82.01 -41.04 21.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.933 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.8 p -85.66 -12.86 50.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m120 59.95 32.57 21.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.585 ' HB2' HD11 ' A' ' 54' ' ' ILE . 20.6 mt -99.49 -175.39 2.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.96 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 53' ' ' GLN . 56.6 m -112.43 136.68 51.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.78 HD11 ' OE1' ' A' ' 41' ' ' GLN . 49.6 mt -35.14 -47.32 0.38 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.605 HD11 HD21 ' A' ' 56' ' ' ASN . 22.1 tp -55.98 -47.82 76.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.6 mt-30 -65.69 -39.03 90.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.585 HD11 ' HB2' ' A' ' 49' ' ' LEU . 47.2 mm -56.14 -69.28 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.7 t -54.68 -46.06 74.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.875 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.605 HD21 HD11 ' A' ' 52' ' ' LEU . 51.2 m-20 -51.84 -44.02 63.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.844 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.601 ' CZ2' HD12 ' A' ' 65' ' ' ILE . 28.3 t90 -66.07 -42.39 89.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.954 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.5 ' O ' ' N ' ' A' ' 62' ' ' ARG . 10.6 m-85 -55.86 -41.27 74.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.885 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 56' ' ' ASN . 75.4 mt -52.05 -72.32 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.151 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -63.07 -30.68 71.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 57' ' ' TRP . . . -74.58 -21.9 59.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.127 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 58' ' ' PHE . 12.3 ttp-105 -81.12 -15.05 57.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.6 ptt85 -107.56 -2.16 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.415 ' O ' ' HB2' ' A' ' 68' ' ' ASP . 39.4 ttt-85 -126.74 -43.43 1.71 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.785 HD13 ' HE ' ' A' ' 23' ' ' ARG . 3.0 mt -84.85 -61.62 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.149 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.655 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 18.4 tp -40.49 -51.17 6.65 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.644 0.735 . . . . 0.0 110.921 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 -21.38 33.55 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 65' ' ' ILE . 12.2 t70 -83.63 -36.02 24.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.878 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.406 ' CG ' ' O ' ' A' ' 66' ' ' LEU . 12.1 ptp -70.67 -45.6 64.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' ' O ' ' A' ' 66' ' ' LEU . 2.0 mp -46.59 -54.52 9.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -79.74 76.59 6.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -129.42 146.16 51.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 73' ' ' ARG . 0.2 OUTLIER -62.94 140.52 58.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 -179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 58.9 mtm-85 -77.94 84.47 4.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -68.65 168.91 12.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -125.37 88.84 53.56 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 110.859 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 121.26 7.94 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.682 2.255 . . . . 0.0 112.35 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 24.2 p -70.68 124.98 25.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -131.91 145.59 17.3 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.515 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 178.57 4.47 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.723 2.282 . . . . 0.0 112.342 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 t -119.88 -43.4 2.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 33.8 t -160.67 156.18 25.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.459 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -119.44 158.46 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 4' ' ' GLY . 7.0 m -157.35 170.34 22.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.821 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 36.03 63.85 0.61 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.485 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 m -55.76 -42.76 75.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.852 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -167.34 168.96 12.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.852 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.07 80.02 0.76 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt -150.05 112.58 4.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.882 0.372 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 14.8 ptmt -120.41 64.38 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.9 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -114.49 174.6 5.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.63 144.57 0.86 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.903 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.49 168.84 31.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.467 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -109.87 168.44 9.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.529 HD22 HD22 ' A' ' 49' ' ' LEU . 8.2 mt -117.72 151.82 49.04 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.635 0.731 . . . . 0.0 110.921 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.5 Cg_endo -69.76 136.06 32.03 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.645 2.23 . . . . 0.0 112.348 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 17' ' ' GLU . . . -35.06 -64.08 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.077 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.514 ' O ' HD12 ' A' ' 21' ' ' ILE . 5.1 pt-20 -35.0 -54.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.444 ' HA ' HD13 ' A' ' 21' ' ' ILE . 12.9 m -67.52 -40.69 85.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 22' ' ' LEU . 71.2 t -56.1 -53.08 43.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.179 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -37.96 -42.84 0.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 17' ' ' GLU . 4.7 mp -63.19 -43.23 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.165 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.542 HD21 HD12 ' A' ' 54' ' ' ILE . 93.7 mt -74.53 -57.28 4.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.954 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 32.3 mtp180 -45.56 -50.48 13.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.843 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -45.71 -43.36 12.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.745 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 43.9 t90 -76.38 -40.03 52.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.464 ' O ' ' CA ' ' A' ' 30' ' ' ARG . 2.5 ttt -60.87 -24.09 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 69' ' ' MET . 1.9 t80 -76.13 -55.98 5.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.938 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -60.41 -36.79 78.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.745 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 89.0 m-70 -100.81 4.49 42.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.497 ' NE ' ' O ' ' A' ' 27' ' ' TYR . 2.6 ptp85 -35.94 -35.62 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.403 ' N ' ' O ' ' A' ' 29' ' ' HIS . 2.7 m-85 -40.77 -46.5 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HG2' ' N ' ' A' ' 33' ' ' ALA . 0.0 OUTLIER -116.39 -29.85 6.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.423 ' N ' ' HG2' ' A' ' 32' ' ' LYS . . . 51.09 37.85 19.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.05 179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.418 ' OH ' ' CZ ' ' A' ' 62' ' ' ARG . 20.1 m-85 -134.99 93.8 16.9 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.699 0.761 . . . . 0.0 110.879 -179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 149.08 66.22 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.693 2.262 . . . . 0.0 112.367 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.502 ' O ' ' N ' ' A' ' 38' ' ' GLU . 49.7 m -87.96 155.22 19.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 33.4 mt-10 -36.63 -29.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.502 ' N ' ' O ' ' A' ' 36' ' ' SER . 33.3 mt-10 -79.99 -49.5 11.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' N ' ' O ' ' A' ' 36' ' ' SER . 72.9 mm-40 -53.02 -51.1 62.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -56.15 -66.25 0.46 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.487 ' CD ' HD21 ' A' ' 51' ' ' LEU . 2.7 tp60 -44.23 -34.37 1.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.6 ttp -67.68 -49.8 60.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.895 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.93 -41.74 90.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -48.55 -23.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -73.71 -45.25 53.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 mptp? -75.45 -35.57 60.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 42.0 p -91.8 -16.6 26.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 44' ' ' SER . 67.3 m-20 61.42 36.69 17.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.529 HD22 HD22 ' A' ' 14' ' ' LEU . 18.2 mt -105.58 -175.16 2.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.943 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.498 ' O ' ' N ' ' A' ' 53' ' ' GLN . 9.0 m -110.76 135.94 50.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.487 HD21 ' CD ' ' A' ' 41' ' ' GLN . 75.5 mt -35.32 -39.35 0.12 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.922 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.539 HD11 HD21 ' A' ' 56' ' ' ASN . 18.5 tp -63.01 -46.22 88.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.498 ' N ' ' O ' ' A' ' 50' ' ' SER . 35.8 mt-30 -65.44 -41.12 93.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.542 HD12 HD21 ' A' ' 22' ' ' LEU . 29.8 mm -51.68 -69.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.146 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 22.8 t -55.69 -49.72 72.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.539 HD21 HD11 ' A' ' 52' ' ' LEU . 65.0 m-20 -47.96 -37.05 13.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 50.9 t90 -72.37 -42.06 65.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.945 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -57.91 -36.32 72.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.4 mt -58.16 -70.25 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -60.85 -36.81 80.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.856 ' CB ' HD12 ' A' ' 65' ' ' ILE . . . -63.25 -40.73 98.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.47 ' HA ' ' CB ' ' A' ' 66' ' ' LEU . 13.4 mtp-105 -66.48 -1.58 3.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 1.0 OUTLIER -103.97 -25.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 9.3 tpp85 -126.67 -43.98 1.69 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.856 HD12 ' CB ' ' A' ' 61' ' ' ALA . 80.1 mt -69.86 -56.92 9.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.184 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.628 HD12 HD23 ' A' ' 70' ' ' LEU . 6.0 tp -47.83 -53.59 30.43 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.615 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.5 Cg_endo -69.79 3.32 2.85 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -96.1 -54.92 3.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.575 ' HB2' ' CE2' ' A' ' 27' ' ' TYR . 20.1 ptp -68.93 -34.94 76.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.628 HD23 HD12 ' A' ' 66' ' ' LEU . 2.5 mm? -57.72 -53.68 55.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.918 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.441 ' O ' ' C ' ' A' ' 72' ' ' GLN . 77.6 mt-30 -35.96 134.69 0.36 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 71' ' ' GLN . 32.2 mt-30 -34.92 133.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.952 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.4 mmm180 -117.18 172.48 7.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 12.9 tpt180 -46.67 -58.1 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . 0.458 ' ND2' ' HD3' ' A' ' 77' ' ' PRO . 0.7 OUTLIER -160.78 157.6 27.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.892 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 -107.74 94.34 12.07 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.574 0.702 . . . . 0.0 110.834 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.458 ' HD3' ' ND2' ' A' ' 75' ' ' ASN . 53.1 Cg_endo -69.81 110.63 2.61 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.682 2.254 . . . . 0.0 112.322 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.6 t -95.86 159.28 15.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.7 84.55 0.11 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.471 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -178.16 2.22 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.685 2.257 . . . . 0.0 112.312 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 65.1 m -148.76 172.59 14.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 3.9 m -168.11 172.64 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.458 -179.977 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.0 m -160.03 136.92 9.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.379 . . . . 0.0 110.881 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -164.98 174.81 10.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.5 102.37 0.16 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.5 p -170.89 130.75 0.81 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.872 0.368 . . . . 0.0 110.911 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -139.98 137.34 34.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.843 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 50.13 98.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.8 ttpp -166.07 108.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.876 0.37 . . . . 0.0 110.866 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.4 tttp -171.68 150.88 2.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.7 ptp180 -164.35 140.37 6.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.842 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -101.64 145.32 29.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 175.36 149.28 7.23 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.462 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -112.5 143.35 43.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.843 0.354 . . . . 0.0 110.869 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.482 HD22 HD22 ' A' ' 49' ' ' LEU . 3.8 mt -80.79 152.11 71.73 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-O 121.602 0.715 . . . . 0.0 110.899 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' ALA . 53.8 Cg_endo -69.77 137.23 34.95 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.265 . . . . 0.0 112.343 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 19' ' ' VAL . . . -34.69 -65.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.059 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' O ' ' CD1' ' A' ' 21' ' ' ILE . 0.4 OUTLIER -34.97 -45.79 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.884 -179.926 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.9 m -77.11 -36.87 55.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.925 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.494 ' N ' ' O ' ' A' ' 16' ' ' ALA . 55.9 t -60.48 -52.63 59.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.116 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -38.18 -39.61 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.888 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 17' ' ' GLU . 4.4 mp -65.6 -45.02 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 19' ' ' VAL . 79.9 mt -73.09 -54.9 7.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' HE ' HD13 ' A' ' 65' ' ' ILE . 51.6 mtt180 -47.82 -58.51 4.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.852 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -41.81 -38.85 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.762 ' CE2' ' CD2' ' A' ' 29' ' ' HIS . 59.4 t90 -77.86 -49.23 14.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.504 ' SD ' ' HE1' ' A' ' 69' ' ' MET . 7.8 ttm -52.38 -22.97 5.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 23.8 t80 -74.07 -62.16 1.6 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.926 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 51.2 mttm -52.28 -34.19 45.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.762 ' CD2' ' CE2' ' A' ' 25' ' ' TRP . 77.9 m-70 -101.32 4.02 41.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 29' ' ' HIS . 3.0 ptm180 -36.21 -31.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.87 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 29' ' ' HIS . 5.6 m-85 -47.21 -49.72 22.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 33' ' ' ALA . 9.9 ptpp? -105.56 -46.74 4.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 32' ' ' LYS . . . 72.73 52.04 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.415 ' CG ' ' O ' ' A' ' 33' ' ' ALA . 53.4 m-85 -161.2 104.98 1.24 Allowed Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.739 0.78 . . . . 0.0 110.924 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 170.43 16.6 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.376 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 38' ' ' GLU . 8.6 t -109.57 154.17 23.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.842 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 36' ' ' SER . 18.0 mt-10 -36.49 -29.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 36' ' ' SER . 18.6 mm-40 -80.82 -48.53 12.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.912 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 36' ' ' SER . 5.3 mm-40 -55.16 -53.53 54.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -52.5 -63.05 1.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.421 ' HA ' HD21 ' A' ' 51' ' ' LEU . 2.2 tp60 -46.53 -35.23 5.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.2 ttp -69.5 -51.46 35.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mt -60.48 -44.57 95.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.898 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' ASN . 1.3 t -47.91 -25.99 1.54 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -73.66 -40.11 63.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 47.8 mttt -79.09 -41.2 29.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.6 p -86.31 -18.53 31.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 44' ' ' SER . 3.4 m120 65.04 28.77 12.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.482 HD22 HD22 ' A' ' 14' ' ' LEU . 15.4 mt -97.69 -174.83 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.9 m -109.2 138.85 44.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 41' ' ' GLN . 58.4 mt -38.99 -39.41 0.54 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.9 tp -62.99 -48.28 79.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -64.74 -39.94 94.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 45.8 mm -53.9 -68.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.137 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 t -53.74 -41.43 67.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.567 ' HA ' HD12 ' A' ' 59' ' ' ILE . 68.3 m-20 -54.93 -55.24 32.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.866 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 61' ' ' ALA . 57.2 t90 -51.52 -42.31 61.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.458 ' O ' ' CB ' ' A' ' 62' ' ' ARG . 11.7 m-85 -57.86 -35.43 70.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.567 HD12 ' HA ' ' A' ' 56' ' ' ASN . 76.4 mt -50.94 -71.18 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.085 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -69.76 -41.91 74.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.88 ' HB1' HD12 ' A' ' 65' ' ' ILE . . . -56.32 -33.59 65.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.735 ' HG3' HD22 ' A' ' 66' ' ' LEU . 53.7 ttt-85 -78.18 -7.72 57.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.863 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' O ' ' HG3' ' A' ' 67' ' ' PRO . 37.6 mtp180 -105.2 -9.48 17.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.3 mmm180 -127.07 -43.38 1.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.88 HD12 ' HB1' ' A' ' 61' ' ' ALA . 17.8 mt -78.8 -59.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.095 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.735 HD22 ' HG3' ' A' ' 62' ' ' ARG . 37.5 tp -45.08 -50.32 27.43 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.643 0.735 . . . . 0.0 110.957 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.668 ' HD2' ' N ' ' A' ' 66' ' ' LEU . 53.7 Cg_endo -69.75 -14.54 36.26 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.706 2.271 . . . . 0.0 112.374 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -89.86 -20.01 23.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.837 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' MET . . . . . 0.504 ' HE1' ' SD ' ' A' ' 26' ' ' MET . 15.4 ptp -95.54 -40.44 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.522 HD23 HD12 ' A' ' 66' ' ' LEU . 3.8 mm? -60.08 -41.74 93.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 53.36 33.65 16.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -85.89 -48.99 8.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 9.3 mmm180 -141.37 148.31 39.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.79 142.05 51.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -52.74 138.22 29.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -124.27 148.48 58.07 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.603 0.715 . . . . 0.0 110.852 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.3 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.659 2.239 . . . . 0.0 112.344 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -88.13 129.15 35.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.856 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.411 ' N ' ' HD2' ' A' ' 80' ' ' PRO . . . -74.43 -63.32 2.65 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.528 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.411 ' HD2' ' N ' ' A' ' 79' ' ' GLY . 53.6 Cg_endo -69.82 86.78 0.58 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.665 2.244 . . . . 0.0 112.335 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 97.4 p -118.92 -49.4 2.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.6 t -65.29 137.2 57.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 stop_ save_