data_2lju_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 2lju _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 ' 9' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.849 0.357 . . . . 74.31 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.93 135.23 45.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 65.5 111.103 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -112.04 104.85 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 75.15 110.878 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.2 mt -105.21 135.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.13 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.1 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.88 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.8 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.884 0.373 . . . . 72.53 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -119.83 146.23 45.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -134.73 136.66 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.918 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.36 106.63 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.909 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -97.13 140.76 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.641 0.734 . . . . 73.12 110.873 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.799 0.333 . . . . 75.2 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 119.03 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 52.43 110.828 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -111.81 164.04 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.869 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 m -100.16 -43.96 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 70.51 111.118 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.43 139.78 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 72.13 111.13 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -38.14 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 74.55 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -52.64 -32.25 41.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.879 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 tp -79.9 -37.36 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.93 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.97 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 65.43 111.137 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mp -51.74 -34.36 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 72.43 111.142 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.0 -36.42 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.055 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -54.9 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 64.52 110.949 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.89 -53.64 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 72.14 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.44 -30.84 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.129 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.0 -34.42 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.55 111.059 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -126.63 24.51 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.45 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt 51.94 40.16 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.7 mt -83.18 140.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 72.43 111.142 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.29 102.88 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.897 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -100.51 134.84 42.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.894 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -110.15 136.91 48.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 62.15 111.158 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.6 m -100.57 122.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.2 111.159 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 62.42 110.872 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.853 0.359 . . . . 72.53 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.75 129.14 53.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 70.12 111.08 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -109.02 102.89 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.85 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -93.6 140.0 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.04 111.159 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.894 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.5 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 75.21 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.2 131.98 56.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 71.32 110.9 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -136.35 123.15 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.011 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.89 113.04 16.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.35 110.888 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -105.48 140.06 39.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.917 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 71.34 110.843 -179.865 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.763 0.316 . . . . 72.35 110.927 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -117.13 135.1 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 70.5 110.797 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -111.64 158.14 19.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 74.52 110.835 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -49.11 65.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 73.33 111.107 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.02 161.86 31.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.166 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -57.21 -47.39 81.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.868 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.95 -32.53 33.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.2 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.53 -39.1 92.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.903 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -58.1 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.47 -34.2 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 74.21 111.163 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.88 67.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 73.34 111.118 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -78.14 -47.56 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.12 110.917 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.81 -56.74 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.52 111.091 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.6 t -51.86 -33.95 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.43 111.105 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -31.84 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 75.53 111.073 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -116.5 22.85 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt 51.75 50.29 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.2 mt -103.41 139.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 74.52 111.14 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.32 102.17 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.88 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -99.97 131.32 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.91 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -114.27 124.93 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 75.32 111.154 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.08 122.35 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.046 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.906 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.337 . . . . 73.4 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.75 124.58 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 63.31 111.138 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -99.56 102.81 14.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.876 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.89 139.24 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 75.41 111.11 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 64.42 110.953 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.1 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.853 0.359 . . . . 73.53 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -118.51 149.79 40.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -148.19 130.18 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.955 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.67 106.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 71.4 110.932 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -90.25 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 71.22 110.891 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 74.53 110.887 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.773 0.32 . . . . 74.03 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.1 p -94.29 149.02 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.864 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -135.41 156.12 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.863 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -52.22 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 74.55 111.149 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.4 p -144.21 176.27 9.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 71.13 111.135 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.826 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -49.77 -48.88 50.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -42.63 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.884 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.37 -49.89 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.1 111.077 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.34 -34.91 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.123 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.16 -25.84 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 70.05 111.117 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -81.46 -53.13 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.977 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.69 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 72.12 111.094 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.83 -31.22 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 74.43 111.14 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.58 -30.1 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.51 111.083 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.01 24.74 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 64.22 110.832 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.16 51.59 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 65.23 110.854 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.2 mt -104.16 138.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.43 111.071 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.47 105.36 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 71.01 110.876 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -100.14 140.98 33.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 71.35 110.893 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.8 t -123.97 122.9 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 71.11 111.153 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.1 123.99 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.861 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.911 0.386 . . . . 73.41 110.821 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.36 125.17 48.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.43 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -104.49 102.65 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mt -98.6 135.76 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 74.42 111.117 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 53.32 110.951 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.9 m95 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.847 0.356 . . . . 75.21 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -108.41 147.22 31.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.905 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -144.01 139.59 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.931 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -151.62 109.02 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.876 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -88.71 137.84 31.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.871 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.605 0.717 . . . . 74.03 110.901 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.872 0.368 . . . . 72.51 110.944 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -143.16 130.68 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.898 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -116.78 160.91 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.2 m -79.36 -56.33 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.45 111.123 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p -117.79 152.57 35.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.22 111.116 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -51.78 -47.97 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.77 -30.41 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 75.04 110.907 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.87 -41.83 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 54.33 110.861 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -62.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 75.35 111.084 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.0 mp -53.69 -34.52 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.17 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.16 -24.74 60.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 73.13 111.053 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -79.12 -60.27 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.882 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.0 -51.84 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 65.25 111.122 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.6 t -56.06 -32.3 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.51 111.181 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.33 -30.06 26.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 73.15 111.041 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -123.25 24.52 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 73.31 110.806 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.84 53.26 12.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 65.31 110.9 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -105.99 143.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.15 111.102 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.3 108.73 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.879 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -104.07 136.18 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.911 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -126.29 121.67 33.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 63.05 111.133 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.3 m -95.62 126.89 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.107 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 tp . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.892 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.76 0.314 . . . . 75.31 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.0 127.0 53.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 71.22 111.05 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -105.72 103.77 13.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -94.64 126.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.25 111.177 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.924 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.7 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.785 0.326 . . . . 74.31 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -112.48 148.43 34.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.873 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -150.0 128.68 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.912 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.33 114.98 15.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.33 110.877 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.26 141.26 32.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.682 0.753 . . . . 75.51 110.823 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.841 0.353 . . . . 75.42 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.4 127.38 45.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.14 158.68 18.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 74.53 110.828 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.14 -47.86 10.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 72.12 111.176 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.41 160.57 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 75.02 111.195 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -54.55 -56.02 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 74.54 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.95 -36.55 49.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.872 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 tp -57.0 -42.78 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.976 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.75 -64.43 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 64.43 111.16 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.3 mp -52.3 -35.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 65.21 111.097 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.0 -27.07 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -79.11 -53.5 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.05 110.925 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.23 -54.98 40.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.061 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.94 -33.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.32 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.71 -30.08 20.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.21 111.077 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -126.84 25.0 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.01 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt 51.89 47.03 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.9 mt -93.34 140.7 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 72.12 111.104 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.12 101.25 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.04 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -99.69 130.17 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.954 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -113.53 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 61.4 111.13 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.71 122.13 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 73.31 111.148 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 75.33 110.888 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.769 0.318 . . . . 74.03 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.1 131.64 49.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.127 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -109.45 102.97 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 75.54 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.2 mt -96.42 135.66 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.177 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.8 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.876 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.4 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.848 0.356 . . . . 75.43 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -119.2 151.6 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -151.17 131.25 13.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -134.0 109.88 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.892 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -90.07 141.33 28.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 71.31 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.714 0.769 . . . . 73.31 110.823 -179.903 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.887 0.375 . . . . 74.52 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.05 133.06 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.914 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -121.0 156.31 32.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 72.01 110.903 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -78.24 -49.84 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.52 111.126 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 172.68 7.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 71.14 111.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -71.59 -49.39 40.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.35 110.847 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -52.37 -29.46 24.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.89 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -43.69 95.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.36 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.52 111.077 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 mp -64.51 -32.9 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 75.25 111.163 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -24.94 67.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.51 111.095 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.96 -49.13 11.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 73.53 110.934 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -54.69 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.51 111.105 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.99 -33.02 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 74.23 111.125 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.94 20.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 75.11 111.113 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -122.64 24.62 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.881 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp 51.99 43.83 30.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.897 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.7 mt -94.84 140.83 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 71.25 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.25 107.31 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.901 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -100.64 137.23 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.92 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -117.45 139.12 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 74.24 111.16 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.62 120.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 65.42 111.137 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.927 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 73.43 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.02 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 54.32 111.159 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -95.92 102.82 14.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.859 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.9 mt -104.23 132.78 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 73.22 111.135 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.7 p90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 75.42 110.91 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.8 m95 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.845 0.355 . . . . 74.44 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.06 134.22 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -125.52 124.61 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.935 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -130.11 103.38 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 71.44 110.876 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -86.05 141.18 29.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 74.21 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 72.0 110.873 -179.865 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.853 0.359 . . . . 75.35 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -126.47 122.17 34.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.33 143.28 46.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.868 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.9 m -68.31 -50.33 54.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.146 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.2 162.39 16.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 75.42 111.094 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -66.66 -47.08 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -51.77 -30.49 23.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.858 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.84 -39.07 80.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 72.1 110.929 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.3 -61.55 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.119 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 mp -53.69 -34.06 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.109 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.87 -24.03 55.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 74.24 111.15 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.86 -45.24 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.24 110.943 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.21 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 65.55 111.097 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.61 -30.23 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.21 111.125 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.99 -28.57 38.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 75.05 111.194 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -126.75 24.93 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.83 44.8 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 73.33 110.92 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.0 mt -92.34 141.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.22 102.13 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 62.45 110.837 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -99.97 133.82 43.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.917 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -116.95 121.53 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 74.5 111.116 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.3 m -95.73 124.61 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.131 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.901 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.856 0.36 . . . . 74.52 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.26 151.82 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 60.43 111.058 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.96 103.11 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.908 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -102.55 119.14 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.43 111.096 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.939 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.1 m95 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.876 0.37 . . . . 72.33 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -123.53 130.91 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.881 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -124.0 122.6 38.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.96 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -121.74 101.8 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 64.52 110.885 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.03 147.27 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.897 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 74.54 110.934 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.862 0.363 . . . . 74.23 110.878 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p -112.01 146.2 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.823 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -117.74 173.56 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 72.43 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.29 -38.1 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.14 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -136.78 151.71 49.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.102 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -56.07 -40.55 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 75.52 110.863 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -51.38 -30.59 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.807 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.36 -34.6 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.42 -59.4 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 75.31 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.4 mp -59.04 -34.62 53.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.15 111.159 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.09 -31.49 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 70.1 111.081 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -57.29 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 75.23 110.949 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.7 -53.2 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 64.23 111.133 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.4 t -53.33 -32.16 19.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.081 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.2 -35.31 59.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 75.51 111.149 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.69 17.71 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.864 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.26 47.4 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.914 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.1 mt -92.84 142.11 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.34 111.083 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.11 97.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.829 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -101.85 139.13 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.915 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -110.69 138.1 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.093 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.7 t -104.6 114.17 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.182 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.88 -179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.777 0.322 . . . . 72.24 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.43 119.93 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.24 111.052 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -99.64 103.15 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -95.83 139.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.53 111.121 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.04 110.862 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.1 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.9 0.381 . . . . 74.54 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -126.32 152.27 46.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -143.58 134.71 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.1 110.982 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -133.81 104.16 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.91 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -86.33 138.38 31.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 73.23 110.895 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.593 0.711 . . . . 75.15 110.908 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.817 0.342 . . . . 73.45 110.947 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.95 140.64 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.828 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -109.97 158.42 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 75.34 110.845 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -44.84 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 73.42 111.206 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -123.65 154.15 39.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 74.42 111.155 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -53.42 -53.46 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -53.2 -28.65 27.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 64.43 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.59 -33.82 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.914 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.88 -49.85 23.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 65.01 111.109 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.0 mp -66.91 -32.77 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.126 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.56 -25.31 67.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.109 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -79.34 -50.73 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.992 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.37 -56.15 18.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.15 111.088 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.86 -31.01 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 75.22 111.152 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.1 -30.67 27.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 64.33 111.121 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -124.23 25.23 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.851 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp 51.97 55.29 9.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -106.62 142.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 73.44 111.109 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -71.29 104.15 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.895 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -100.57 135.93 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.941 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -121.27 121.59 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 71.22 111.177 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 m -88.53 122.07 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.094 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.896 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.844 0.354 . . . . 75.43 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.05 128.9 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 70.12 111.103 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 102.93 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.882 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.6 mt -106.21 117.44 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.1 111.102 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.0 p90 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.92 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.0 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.854 0.359 . . . . 75.05 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -120.41 117.03 26.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -103.2 131.51 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 63.31 110.884 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -138.78 104.09 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 73.23 110.926 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -85.22 138.56 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.01 110.875 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 75.32 110.936 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.862 0.363 . . . . 74.33 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.56 141.24 39.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.889 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -131.89 143.84 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.18 -48.79 49.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 75.02 111.198 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.65 177.54 4.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 74.3 111.171 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -48.26 18.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 64.52 110.892 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -50.1 -30.18 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.944 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 tp -79.24 -38.05 36.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.03 110.893 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.8 -64.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.067 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.0 mp -51.23 -31.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 72.1 111.103 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.18 -47.38 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.44 111.118 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.87 -50.7 60.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.55 -55.55 23.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 75.03 111.1 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.45 -30.7 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.31 111.109 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.14 -35.83 49.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 70.12 111.059 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -126.47 25.83 6.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.907 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.62 45.4 28.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.912 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.4 mt -91.09 141.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 65.52 111.129 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -71.3 107.43 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.883 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -101.61 130.03 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 74.31 110.979 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 t -105.89 133.89 49.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 70.22 111.116 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.2 m -105.83 110.98 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.136 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.918 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.903 0.383 . . . . 73.22 110.808 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.06 125.96 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.31 111.107 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -108.03 102.91 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.852 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mt -94.81 141.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.22 111.09 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.944 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 22.0 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 74.21 110.918 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -111.14 139.29 46.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.868 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -135.8 129.81 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -127.76 103.36 7.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.811 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -100.14 133.26 44.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.888 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.671 0.748 . . . . 75.24 110.913 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.7 tp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.348 . . . . 64.32 110.949 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -97.48 153.36 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 62.5 110.865 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -137.47 157.79 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 72.14 110.913 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -54.06 39.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 71.42 111.166 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.8 p -137.98 166.94 22.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.138 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.38 -41.68 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.878 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.71 -35.44 42.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 70.31 110.883 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -38.61 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 70.2 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.37 -60.71 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 71.15 111.1 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -55.36 -35.8 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.128 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.87 -24.48 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 74.34 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -79.73 -46.54 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.877 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.68 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 74.32 111.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -52.11 -32.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 64.41 111.131 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.91 -30.11 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 62.33 111.013 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -122.33 24.61 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 73.43 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 51.93 55.58 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.78 143.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.23 111.111 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.37 104.51 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.879 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -100.36 130.92 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 75.33 111.003 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 t -113.8 124.96 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.23 111.189 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.62 114.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.43 111.091 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.876 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.891 0.377 . . . . 75.12 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.83 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.1 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -98.34 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.883 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.9 mt -102.91 137.81 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.01 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.932 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.0 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 74.4 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -111.35 142.87 43.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.93 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -135.34 127.22 29.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.883 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -132.08 107.43 8.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.868 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -85.45 138.98 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.53 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 64.43 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.785 0.326 . . . . 72.1 110.931 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 t -126.95 134.74 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.811 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -132.12 130.18 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 74.54 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -59.47 -48.16 82.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 53.5 111.16 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.81 148.85 39.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 75.14 111.144 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -42.89 88.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.91 -30.23 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 70.13 110.923 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 tp -70.92 -38.87 72.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.5 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.4 -62.02 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 42.43 111.133 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.16 -34.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 74.32 111.143 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.05 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 64.35 111.051 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -79.66 -55.97 4.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.406 . . . . 74.23 110.884 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.63 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 73.22 111.104 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.8 t -51.98 -33.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.119 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.46 -26.66 32.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.211 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -126.47 26.46 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 75.51 110.866 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.04 32.05 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.897 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.3 mt -80.66 139.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 73.34 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -71.94 105.95 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 70.51 110.893 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -100.87 137.89 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.15 110.953 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.62 120.87 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.34 111.149 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.83 118.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 71.43 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.915 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.844 0.354 . . . . 75.42 110.828 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.55 127.05 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.109 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -105.89 103.68 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.866 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mt -99.27 134.75 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.52 111.115 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 75.02 110.87 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.5 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.812 0.339 . . . . 71.42 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 140.36 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.46 129.13 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.25 110.9 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -131.87 109.84 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.914 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -91.93 136.59 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.81 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.692 0.758 . . . . 72.23 110.902 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.78 0.324 . . . . 75.51 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.0 m -95.63 165.63 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 70.01 110.853 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -148.06 141.13 24.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 75.13 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -46.74 78.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 74.33 111.174 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -135.11 150.1 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.143 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -38.01 57.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.888 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -53.41 -31.42 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 74.54 110.939 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 tp -77.72 -38.28 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 73.3 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.12 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.132 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 mp -51.79 -34.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 74.1 111.096 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.29 -33.21 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.4 111.118 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -75.41 -52.5 10.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 75.15 110.901 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.85 -51.19 70.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 74.11 111.109 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.15 -31.97 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.137 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.68 -29.96 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.32 111.125 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -121.39 25.53 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.86 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt 51.94 33.13 11.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.887 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.9 mt -82.73 137.18 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.11 111.128 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.49 106.99 4.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 61.41 110.876 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -100.44 138.35 37.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 75.25 110.93 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -115.2 132.68 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 75.24 111.139 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.1 m -98.26 119.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 73.5 111.115 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.903 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 72.13 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.39 129.13 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 73.54 111.109 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -108.01 104.21 13.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.41 110.943 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mt -97.69 121.95 48.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.127 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.877 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.0 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 74.32 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -108.28 144.74 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 62.42 110.93 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -139.53 127.74 22.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.929 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.37 106.64 8.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -92.74 137.36 32.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.24 110.904 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.645 0.736 . . . . 74.34 110.902 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.849 0.357 . . . . 63.41 110.907 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 p -99.14 161.99 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.52 110.818 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -145.18 162.31 37.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 75.24 110.85 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -46.93 16.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 74.15 111.199 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -134.39 161.36 35.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 65.33 111.084 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.51 -39.43 83.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.853 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -51.68 -31.6 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.51 110.872 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.82 -38.05 62.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.934 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.08 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -51.97 -34.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.155 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.48 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 72.3 111.131 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -67.83 -50.23 57.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.892 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.41 11.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 63.23 111.127 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.66 -29.99 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 71.14 111.135 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.92 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 70.14 111.159 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -124.79 26.03 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.867 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 51.8 45.67 27.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.5 mt -95.5 140.97 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.12 111.13 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.36 104.5 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 61.23 110.808 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -100.1 136.36 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.002 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.5 t -115.79 123.73 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 63.23 111.131 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 m -96.66 119.29 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.126 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.867 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.817 0.341 . . . . 73.3 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.26 130.18 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 53.34 111.126 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.5 mtm-85 -112.32 103.95 12.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.846 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.4 mt -100.96 134.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.53 111.185 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.868 -179.892 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 58.1 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 73.24 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -126.11 122.39 35.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.93 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -116.92 131.77 56.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.919 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -140.31 113.91 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.864 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -94.21 148.74 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 64.33 110.853 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.332 . . . . 73.05 110.914 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 m -127.46 147.81 50.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.859 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -123.33 165.85 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -82.73 -46.7 12.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.479 . . . . 62.44 111.142 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 p -133.74 159.04 41.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.155 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -41.18 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.882 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -51.58 -30.45 20.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.916 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -78.53 -39.64 37.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.908 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 71.4 111.102 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -51.52 -34.86 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 72.34 111.143 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.82 -41.31 64.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 52.02 111.149 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -65.7 -53.54 39.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 75.22 110.934 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.22 -55.58 31.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 74.25 111.046 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.6 t -52.34 -32.19 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 75.34 111.146 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.47 36.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.22 111.124 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -123.48 24.72 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 74.44 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 51.92 34.5 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.881 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -79.46 140.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 74.44 111.142 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.08 104.09 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -100.21 133.22 44.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.913 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.8 t -108.7 131.57 54.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 74.12 111.167 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.3 m -94.82 121.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 75.33 111.145 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 73.31 110.964 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.802 0.334 . . . . 73.41 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.32 156.75 27.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 53.35 111.091 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -121.74 102.74 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.874 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -97.54 125.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.086 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.23 110.861 -179.928 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.0 m95 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.331 . . . . 75.24 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -120.56 145.27 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 74.13 110.911 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -137.71 127.52 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.924 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -130.49 101.46 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.15 110.95 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -84.65 144.65 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 74.23 110.868 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 73.13 110.84 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.2 tp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.79 0.329 . . . . 75.33 110.892 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 p -100.2 158.72 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.85 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -137.95 164.7 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 71.1 110.911 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -50.36 7.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 70.52 111.207 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -130.15 159.81 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 75.32 111.124 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -58.24 -39.28 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.86 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -52.44 -30.03 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.877 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 tp -82.65 -37.04 25.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.883 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.55 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 111.125 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.5 mp -52.43 -34.13 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.155 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.06 -31.39 63.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 71.43 111.15 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -53.09 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.928 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.03 -55.14 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 73.52 111.098 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -54.26 -27.99 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.1 111.144 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.04 -34.67 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 61.25 111.097 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -126.94 27.5 5.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 75.11 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 51.84 40.6 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.5 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.5 mt -83.59 137.34 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 75.24 111.144 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.24 97.95 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.943 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -99.87 139.13 35.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.888 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -104.21 130.93 51.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 74.35 111.123 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.11 116.22 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 60.22 111.175 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 75.24 110.85 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.857 0.361 . . . . 73.42 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.57 118.99 38.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.106 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.6 ttm-85 -97.2 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.891 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.2 mt -105.46 136.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.067 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.936 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.9 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.761 0.315 . . . . 74.03 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -113.01 139.96 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 75.24 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -135.25 124.93 25.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 72.3 110.891 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -128.87 104.61 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.848 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -89.43 138.21 31.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.855 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 74.1 110.927 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 64.21 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 132.04 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.886 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -105.49 147.93 27.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.913 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 m -60.7 -52.39 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.086 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.45 173.09 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 73.34 111.127 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -70.74 -50.54 35.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.842 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -51.91 -33.0 35.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 74.51 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -45.42 77.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -59.04 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 111.125 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 mp -52.94 -40.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 75.5 111.128 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.29 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.13 111.088 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -80.74 -53.44 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.918 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.66 -55.02 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 52.12 111.118 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.64 -31.32 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 72.11 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.78 -30.71 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 51.12 111.093 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -126.93 25.25 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.827 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 51.8 58.7 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.881 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.3 mt -106.9 143.38 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.44 111.156 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.29 100.41 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.84 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -99.97 130.95 46.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.935 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -113.1 120.9 42.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.169 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.9 m -94.08 119.93 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 74.52 111.158 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.94 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.805 0.336 . . . . 75.05 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.47 135.38 44.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.41 111.109 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -109.66 103.09 11.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.847 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -101.97 139.61 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.183 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.2 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.938 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 25.2 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.794 0.33 . . . . 75.12 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -110.97 140.93 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 63.2 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -139.88 128.61 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.87 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.58 107.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.899 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -92.91 138.66 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.858 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 74.31 110.906 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.825 0.345 . . . . 74.24 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.3 m -129.01 159.57 35.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.858 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -139.77 156.24 46.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 74.24 110.937 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -56.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 75.55 111.205 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 p -135.01 176.02 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 75.44 111.135 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -40.49 95.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.9 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -51.98 -30.44 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.88 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -37.36 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.935 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.25 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.132 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -54.62 -34.77 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.089 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.14 71.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 73.53 111.076 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -76.38 -53.64 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.33 110.957 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -53.76 54.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 73.02 111.167 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.14 -30.63 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.075 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.1 -30.26 25.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.52 111.049 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.72 26.41 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 53.36 12.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.911 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -104.87 142.73 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 73.1 111.121 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.7 107.0 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 65.32 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -100.8 136.83 40.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.931 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.52 122.66 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 74.44 111.169 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.07 129.26 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 64.24 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.6 tp . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 74.45 110.911 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 75.01 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.98 119.05 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.24 111.094 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -97.43 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.804 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -105.04 131.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.111 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 75.05 110.981 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.1 m95 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.919 0.39 . . . . 74.1 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -115.34 136.11 53.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.973 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -125.63 127.97 47.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 74.02 110.934 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -132.13 104.13 6.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.861 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -85.53 138.6 32.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.886 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 72.42 110.818 -179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.813 0.34 . . . . 74.31 110.947 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.7 p -92.78 157.9 16.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.821 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -141.89 141.32 33.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 74.03 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -41.03 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.16 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -136.29 149.15 48.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.153 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -41.38 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 75.43 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -51.53 -31.53 24.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.907 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.32 -37.52 32.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.912 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -63.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 61.55 111.093 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -53.88 -34.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.097 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.76 -22.9 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 73.24 111.137 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -80.07 -48.74 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.987 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -53.36 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 71.11 111.092 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -51.6 -30.23 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.45 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.43 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 75.32 111.066 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -125.94 24.77 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.781 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.67 39.52 25.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 74.23 110.944 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.56 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 72.13 111.107 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -71.12 102.45 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 61.1 110.909 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -100.04 137.37 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 71.3 110.915 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.85 122.05 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.31 111.167 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.0 t -96.5 123.85 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 75.3 111.097 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.962 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.814 0.34 . . . . 75.24 110.794 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.21 120.22 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 72.13 111.08 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -99.77 102.59 14.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.901 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.1 mt -103.02 129.74 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.926 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.4 m95 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.817 0.341 . . . . 73.4 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.92 143.27 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.33 110.894 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -129.28 131.6 47.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 74.03 110.959 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -138.4 104.43 5.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.849 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -84.42 141.37 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.864 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 74.52 110.936 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 73.24 110.885 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.6 p -116.58 167.77 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 53.24 110.848 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -144.04 129.89 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.855 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 m -56.16 -45.56 79.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 74.25 111.101 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.75 146.69 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.25 111.199 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -40.99 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.885 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -52.72 -31.29 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.857 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 tp -75.51 -38.67 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.856 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.52 -64.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 74.32 111.08 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -52.41 -34.66 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 72.2 111.118 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.39 -26.07 39.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 74.41 111.072 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -77.99 -54.44 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.957 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 61.31 111.148 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -52.45 -30.92 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.126 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.65 -25.43 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.125 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -126.63 23.98 6.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.853 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? 51.96 38.67 24.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 70.34 110.843 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.9 mt -88.86 140.24 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 72.42 111.129 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.24 104.8 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.878 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -99.93 133.12 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.959 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -112.63 125.3 54.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 74.33 111.099 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.6 m -98.03 123.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.124 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 74.3 110.952 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ptt? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.713 0.292 . . . . 71.23 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -102.81 -176.42 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -130.1 135.01 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -85.94 132.72 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.01 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.2 t -127.09 138.94 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 73.43 111.137 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -104.08 70.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 73.13 110.854 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -149.76 157.34 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 70.33 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.34 168.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 70.01 111.128 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -137.29 150.29 47.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 74.31 110.873 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.93 135.23 45.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 65.5 111.103 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -112.04 104.85 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 75.15 110.878 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.2 mt -105.21 135.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.13 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -130.77 134.19 46.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.88 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -91.33 153.01 44.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.552 0.692 . . . . 75.42 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -173.22 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 71.51 112.378 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.5 143.26 31.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 54.42 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -64.79 115.66 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 74.14 110.922 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 t -152.56 155.4 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 74.01 110.828 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.2 p -59.94 115.11 3.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 63.22 111.136 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -64.99 176.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.884 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 52.56 31.85 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 65.14 110.932 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.5 p -96.0 42.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 71.41 110.907 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.31 97.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 51.22 112.479 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -145.24 142.69 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 75.52 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -130.84 26.94 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.54 110.867 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -142.76 171.06 14.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 75.53 110.939 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.1 mt -125.38 90.86 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 74.51 110.909 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -161.82 118.6 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 64.35 110.913 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.21 -41.0 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 75.45 111.108 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -104.11 152.17 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 72.53 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -119.83 146.23 45.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -134.73 136.66 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.918 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -148.36 106.63 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.909 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -97.13 140.76 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.59 160.09 55.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.641 0.734 . . . . 73.12 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 146.77 61.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 73.24 112.345 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 p -112.95 -73.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.861 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.6 t -172.83 143.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 72.41 110.892 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 m 55.84 46.24 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 62.12 111.151 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -53.69 152.52 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 75.52 110.908 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -98.93 174.83 6.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 74.24 110.928 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.6 t -88.74 152.34 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 64.35 111.166 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -51.67 156.81 2.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 73.14 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.74 18.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.244 . . . . 73.34 112.376 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -86.42 111.14 20.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.5 tpt -133.55 144.41 49.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.885 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -157.95 144.21 17.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 73.45 110.857 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -142.19 164.64 29.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 63.34 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.2 p -113.25 -53.6 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 72.32 111.121 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.25 -43.43 84.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 64.43 112.486 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.0 p -135.09 130.65 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 53.43 110.827 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -52.23 134.37 33.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 75.25 110.815 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -71.41 143.44 50.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.859 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.5 t -94.5 158.82 15.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 74.23 111.138 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -86.17 106.49 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.1 110.877 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -62.01 158.85 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 74.51 110.898 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.18 41.49 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.4 t 65.23 14.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.11 111.104 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.91 142.53 29.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 72.5 110.859 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.61 154.41 21.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 75.2 110.913 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 119.03 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 52.43 110.828 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -111.81 164.04 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 64.45 110.869 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 m -100.16 -43.96 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 70.51 111.118 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.43 139.78 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 72.13 111.13 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.67 -38.14 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 74.55 110.89 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -52.64 -32.25 41.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.879 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.5 tp -79.9 -37.36 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.93 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.97 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 65.43 111.137 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.1 mp -51.74 -34.36 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 72.43 111.142 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -54.0 -36.42 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.055 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.56 -54.9 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 64.52 110.949 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.89 -53.64 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 72.14 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.3 t -51.44 -30.84 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.129 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.0 -34.42 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.55 111.059 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -126.63 24.51 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.45 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt 51.94 40.16 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.7 mt -83.18 140.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 72.43 111.142 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.29 102.88 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.897 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -100.51 134.84 42.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 73.44 110.894 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -110.15 136.91 48.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 62.15 111.158 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.6 m -100.57 122.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.2 111.159 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.1 mt -107.72 136.65 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 62.42 110.872 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -95.38 148.66 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 74.44 110.922 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -70.19 -32.53 70.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 75.02 110.821 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -131.14 160.57 66.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.731 . . . . 72.12 110.905 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 161.81 44.49 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.735 2.29 . . . . 75.24 112.362 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.36 105.15 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 72.43 110.865 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.0 m -87.18 150.82 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.124 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.9 mp -98.67 145.19 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.106 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.1 m -52.94 155.8 3.95 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.64 0.733 . . . . 65.52 111.118 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.267 . . . . 72.14 112.371 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -66.91 107.7 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 73.32 110.903 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.6 m -114.71 -178.78 3.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 70.42 110.855 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -169.14 134.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 74.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.68 175.19 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 64.23 111.091 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -164.74 130.87 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -140.84 149.94 42.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 73.21 110.878 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -135.31 161.87 34.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.869 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -149.04 137.18 20.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 73.31 111.099 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 160.8 41.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 74.13 110.854 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.76 20.59 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.684 2.256 . . . . 75.24 112.346 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -118.62 95.18 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.12 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -72.55 151.29 42.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.54 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.863 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.685 0.279 . . . . 75.33 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -125.13 93.97 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.926 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -82.01 138.47 34.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 73.52 110.835 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -103.84 151.89 22.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 71.21 110.967 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -134.83 70.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.12 111.104 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -118.15 -43.74 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 70.24 110.898 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -139.16 164.55 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.0 m -68.54 173.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 62.13 111.097 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -142.39 137.79 30.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 72.53 110.909 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.75 129.14 53.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 70.12 111.08 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -109.02 102.89 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 72.4 110.85 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 45.4 mt -93.6 140.0 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 75.04 111.159 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -141.79 139.0 32.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -80.63 153.01 73.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 72.13 110.813 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 179.89 3.36 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.768 2.312 . . . . 74.25 112.367 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.56 167.41 20.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 75.11 111.077 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.54 -32.31 65.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.853 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 m -74.75 175.02 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 72.14 110.879 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.09 164.16 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 73.42 111.155 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.8 mtp -124.25 -175.27 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 65.14 110.94 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -70.17 -176.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 74.05 110.92 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.1 p -159.83 125.53 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.878 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.1 -129.64 5.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 64.33 112.461 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -104.72 -34.65 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 74.55 110.868 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -122.4 172.98 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 63.04 110.803 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt 59.81 34.77 21.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 75.45 110.895 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.0 mt -84.63 108.62 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.12 110.89 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -136.64 134.33 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.21 110.87 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -127.65 -44.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 74.43 111.06 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -101.88 158.62 16.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 75.21 110.92 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.2 131.98 56.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 71.32 110.9 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -136.35 123.15 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.011 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.89 113.04 16.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.35 110.888 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -105.48 140.06 39.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 75.13 110.917 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.91 160.36 8.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 71.34 110.843 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -176.01 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 72.54 112.323 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 p -114.78 -28.4 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 71.41 110.85 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 61.51 44.49 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 63.24 110.899 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -126.53 163.06 24.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 71.54 111.155 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -57.4 114.91 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.983 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -84.13 121.76 27.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.92 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -58.47 150.34 22.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 74.43 111.17 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.14 160.96 72.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.726 0.774 . . . . 72.53 110.79 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 178.44 4.55 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.68 2.253 . . . . 61.32 112.39 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.4 155.02 17.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 73.32 110.871 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 ptp -60.8 170.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 64.51 110.898 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -73.78 90.29 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 72.42 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -127.45 -50.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.876 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.9 p -84.77 -42.38 15.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 71.43 111.166 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.08 -97.26 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 71.13 112.443 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.1 p -112.67 179.35 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 72.13 110.885 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -115.59 -31.38 5.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.887 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.0 141.35 22.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.948 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.84 170.22 18.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 75.21 111.116 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -129.91 116.5 18.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.873 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -79.4 139.4 37.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 72.2 110.922 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -138.32 163.02 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.3 110.933 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 m -112.79 -28.29 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 75.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 24.3 p -107.52 133.35 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 74.54 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.3 pp -135.74 164.94 26.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 72.35 110.927 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.8 m -117.13 135.1 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 70.5 110.797 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -111.64 158.14 19.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 74.52 110.835 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -49.11 65.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 73.33 111.107 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.02 161.86 31.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 73.32 111.166 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -57.21 -47.39 81.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.868 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.95 -32.53 33.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.2 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.53 -39.1 92.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 73.3 110.903 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -58.1 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 74.14 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.3 mp -55.47 -34.2 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 74.21 111.163 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.88 67.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 73.34 111.118 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -78.14 -47.56 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.12 110.917 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.81 -56.74 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.52 111.091 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 92.6 t -51.86 -33.95 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.43 111.105 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -31.84 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 75.53 111.073 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -116.5 22.85 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt 51.75 50.29 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.2 mt -103.41 139.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 74.52 111.14 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.32 102.17 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.88 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -99.97 131.32 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.91 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -114.27 124.93 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 75.32 111.154 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.08 122.35 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.046 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.1 mt -108.6 104.17 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 74.23 110.906 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -116.51 114.56 24.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 64.31 110.872 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.26 158.4 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 74.15 110.902 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 52.63 72.8 1.07 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.736 . . . . 70.33 110.914 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 125.36 11.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 63.44 112.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -100.95 132.53 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 73.51 110.864 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -144.17 150.72 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 71.25 111.099 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.08 132.88 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.32 111.168 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.56 155.99 2.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 74.03 111.166 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 126.82 13.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 74.1 112.358 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -94.2 143.52 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m -100.98 164.88 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 73.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -154.95 117.82 4.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.913 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.76 -179.13 5.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 73.35 111.09 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.33 135.82 25.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 62.22 110.886 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -115.78 74.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.44 110.972 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -106.71 130.33 54.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.933 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 t -116.62 154.21 30.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.13 -0.486 . . . . 72.34 111.108 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 160.68 35.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.69 . . . . 75.34 110.839 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.8 55.76 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 72.33 112.343 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.99 114.99 29.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 70.1 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -112.16 -56.07 2.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 62.31 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.0 ptt? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.32 110.862 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.644 0.259 . . . . 74.01 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -153.82 155.58 36.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 73.24 110.93 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -132.15 112.06 11.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -59.45 113.55 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.87 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.4 m -113.92 28.66 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.173 -0.467 . . . . 71.13 111.107 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t 57.3 43.71 23.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 73.3 110.858 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -115.62 146.98 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.51 110.898 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 m -112.24 -179.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.098 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -142.88 141.67 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 73.4 110.859 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.75 124.58 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 63.31 111.138 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -99.56 102.81 14.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.876 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.2 mt -95.89 139.24 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 75.41 111.11 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -140.03 136.29 33.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 64.42 110.953 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -83.31 153.11 65.6 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 74.53 110.831 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 170.78 15.89 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 72.54 112.285 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.4 151.39 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 63.21 111.143 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -64.66 -35.42 80.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 72.43 110.958 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 p -104.59 97.47 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.1 145.66 47.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 74.34 111.222 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 tpt -118.83 32.27 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 74.52 110.883 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -132.61 139.59 47.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 73.31 110.899 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -115.63 -36.46 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.797 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.06 102.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 64.04 112.501 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -88.47 -50.41 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 72.42 110.817 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 m -104.37 42.49 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.877 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -173.12 147.12 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 74.2 110.877 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 14.1 mt -126.34 98.52 5.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.876 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -154.2 119.4 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.964 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -119.76 -34.7 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 73.42 111.099 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -103.74 165.9 10.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 73.53 110.909 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -118.51 149.79 40.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -148.19 130.18 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.955 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -130.67 106.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 71.4 110.932 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -90.25 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 71.22 110.891 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.6 160.05 8.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 74.53 110.887 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.8 24.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 71.42 112.354 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t 60.98 25.24 15.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 75.44 110.864 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.1 t 62.68 31.69 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 72.42 110.895 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -160.01 163.24 34.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 65.53 111.125 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -116.5 45.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.908 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -90.74 78.67 6.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 75.1 110.912 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.4 p -131.61 122.52 26.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.23 111.161 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -149.04 70.14 10.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.62 0.724 . . . . 71.24 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.64 -177.68 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.666 2.244 . . . . 75.14 112.399 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 tt -130.24 149.28 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 64.22 110.908 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.1 ttt -154.84 166.53 33.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.828 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -116.84 -48.34 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 73.23 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -64.19 109.61 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.52 110.926 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.1 p -56.83 135.27 55.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.01 111.112 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.22 154.31 29.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 64.51 112.559 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -66.66 -45.04 80.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 72.35 110.894 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -116.51 26.74 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 74.45 110.804 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 52.32 32.19 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.879 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 43.0 p -121.75 113.36 19.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 71.3 111.107 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -116.7 83.69 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 73.11 110.937 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -119.18 58.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.01 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -95.21 131.97 40.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.886 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.5 m -115.01 -26.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 73.52 111.195 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.7 m -84.25 143.76 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 75.34 110.844 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 tp -116.62 124.65 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.855 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.1 p -94.29 149.02 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.864 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -135.41 156.12 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.863 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -52.22 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 74.55 111.149 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.4 p -144.21 176.27 9.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 71.13 111.135 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.87 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.826 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -49.77 -48.88 50.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -42.63 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.884 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -54.37 -49.89 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.1 111.077 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.7 mp -75.34 -34.91 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 74.31 111.123 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.16 -25.84 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 70.05 111.117 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -81.46 -53.13 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.977 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.69 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 72.12 111.094 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.83 -31.22 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 74.43 111.14 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.58 -30.1 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.51 111.083 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.01 24.74 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 64.22 110.832 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.16 51.59 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 65.23 110.854 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.2 mt -104.16 138.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.43 111.071 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.47 105.36 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 71.01 110.876 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -100.14 140.98 33.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 71.35 110.893 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.8 t -123.97 122.9 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 71.11 111.153 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.1 123.99 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.26 120.88 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 74.43 110.861 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -129.19 147.97 51.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 70.03 110.883 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -106.08 44.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 55.04 110.887 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -171.96 70.61 0.46 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.684 0.754 . . . . 72.4 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 130.96 20.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.747 2.298 . . . . 51.51 112.315 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -121.65 132.9 54.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 74.1 110.919 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 65.1 p -84.58 140.28 31.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 70.33 111.104 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.4 mp -88.96 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 73.12 111.145 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 p -117.28 77.94 10.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.728 . . . . 63.4 111.085 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 168.06 22.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 62.42 112.322 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -126.49 130.15 50.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 74.45 110.924 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -111.01 172.62 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 64.24 110.906 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -169.88 116.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 74.55 110.964 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.18 -176.4 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 71.53 111.109 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.3 t0 60.07 29.85 19.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 75.3 110.865 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -85.13 137.09 33.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 75.34 110.832 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -133.09 135.88 45.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 72.42 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 p -102.1 167.06 10.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 74.21 111.198 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -167.12 70.54 1.0 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 73.31 110.858 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.8 6.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 71.01 112.356 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 52.39 50.25 18.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 73.4 110.901 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.33 132.16 38.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.863 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.7 ptt? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.32 110.886 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.721 0.296 . . . . 71.42 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -120.47 139.6 52.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 74.02 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -117.24 118.01 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.886 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -69.79 124.58 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 75.22 110.865 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.96 131.94 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.34 111.099 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -95.18 -29.49 14.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 75.25 110.816 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -65.56 171.53 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 51.52 110.909 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -61.13 -179.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 74.01 111.108 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -142.48 149.16 38.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 73.41 110.821 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.36 125.17 48.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.43 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -104.49 102.65 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.6 mt -98.6 135.76 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 74.42 111.117 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -120.72 147.57 45.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 53.32 110.951 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.9 pttt -70.63 153.3 95.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.554 0.693 . . . . 72.12 110.89 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -32.42 18.63 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 63.35 112.318 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.92 155.78 34.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.24 111.042 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -132.25 -40.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 72.52 110.832 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -126.65 43.53 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.827 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 p 49.79 43.16 24.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 74.21 111.15 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.8 mtt -86.09 -74.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 74.33 110.818 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -121.69 -175.25 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.937 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 p -114.21 -74.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 54.23 110.891 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.27 144.37 5.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.76 . . . . 60.22 112.484 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -154.63 -176.03 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 74.41 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -66.08 90.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 70.31 110.842 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.27 -176.2 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.819 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.48 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 72.43 110.914 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -51.27 115.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.955 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.71 -37.52 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 72.45 111.103 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -87.58 152.5 22.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 75.21 110.902 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -108.41 147.22 31.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.905 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -144.01 139.59 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.931 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -151.62 109.02 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 71.42 110.876 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -88.71 137.84 31.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.871 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.14 160.27 78.53 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.605 0.717 . . . . 74.03 110.901 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.81 -171.73 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.214 . . . . 65.22 112.381 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -131.56 168.8 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.859 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.6 p -112.08 32.54 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 75.33 110.861 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.2 p -103.08 -25.0 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.093 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 58.48 35.77 24.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 65.43 110.956 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -72.24 121.14 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 62.44 110.929 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.2 p -85.59 -178.91 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.34 111.171 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -153.49 72.42 6.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.654 0.74 . . . . 75.01 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.25 14.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 73.44 112.302 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -126.82 170.39 12.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 70.02 110.914 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 ptm -132.84 55.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.888 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -126.77 -50.88 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.785 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -174.08 132.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.899 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -98.89 159.25 15.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 74.53 111.121 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 147.71 -26.57 1.48 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 65.53 112.489 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.6 p -91.66 52.53 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 63.53 110.871 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -100.12 -28.35 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 70.05 110.864 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -60.91 -32.2 71.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 75.44 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -88.05 129.31 35.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.22 111.112 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.84 46.25 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 75.53 110.886 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 59.39 40.86 20.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.957 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -111.29 38.41 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.904 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.2 m -104.28 152.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 75.23 111.149 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.3 p -88.16 154.69 20.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 75.42 110.888 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 mt -118.49 156.94 28.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 72.51 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -143.16 130.68 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.898 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -116.78 160.91 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.2 m -79.36 -56.33 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.45 111.123 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p -117.79 152.57 35.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 72.22 111.116 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 ptp85 -51.78 -47.97 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 74.4 110.867 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.77 -30.41 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 75.04 110.907 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.87 -41.83 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 54.33 110.861 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -62.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 75.35 111.084 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.0 mp -53.69 -34.52 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.17 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.16 -24.74 60.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 73.13 111.053 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -79.12 -60.27 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 74.42 110.882 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.0 -51.84 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 65.25 111.122 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 83.6 t -56.06 -32.3 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.51 111.181 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.33 -30.06 26.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 73.15 111.041 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -123.25 24.52 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 73.31 110.806 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.84 53.26 12.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 65.31 110.9 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -105.99 143.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.15 111.102 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.3 108.73 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.879 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -104.07 136.18 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.911 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -126.29 121.67 33.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 63.05 111.133 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.3 m -95.62 126.89 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 74.3 111.107 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 2.2 tp -102.21 115.83 31.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 71.44 110.892 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -112.7 165.09 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 75.32 110.911 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -51.68 153.43 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 72.33 110.872 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -58.79 160.57 10.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.714 . . . . 72.24 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 175.0 8.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 63.04 112.385 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -102.6 173.25 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 73.14 110.854 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -137.65 140.41 40.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 65.44 111.13 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 7.0 mt 52.2 36.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.44 111.209 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.53 155.98 2.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.61 0.719 . . . . 73.23 111.135 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 111.48 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.632 2.221 . . . . 63.23 112.351 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -150.52 139.33 20.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 72.22 110.855 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -175.98 145.03 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 65.15 110.843 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -170.29 124.26 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 74.51 110.91 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.62 104.1 13.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 70.32 111.083 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -108.17 109.52 20.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 54.3 110.905 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -146.61 124.77 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.917 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -150.04 138.52 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 75.25 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.4 t -174.97 133.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 65.41 111.181 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -147.08 157.62 45.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 73.21 110.915 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -172.63 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 71.43 112.378 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.38 31.22 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.2 110.916 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -133.74 116.33 15.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.921 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.3 ttp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 64.23 110.899 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.703 0.287 . . . . 74.02 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -85.82 132.56 34.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 65.15 110.919 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -97.46 140.73 31.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.863 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -114.56 80.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.54 110.93 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.0 t -118.2 113.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 71.43 111.153 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -111.18 62.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.864 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -148.17 -179.19 6.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.885 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -111.99 176.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 75.1 111.123 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -119.65 140.61 50.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 75.31 110.869 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.0 127.0 53.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 71.22 111.05 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -105.72 103.77 13.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -94.64 126.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.25 111.177 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -119.45 140.81 49.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 74.23 110.924 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -108.61 89.6 6.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.513 0.673 . . . . 75.2 110.902 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.66 41.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 70.43 112.362 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.31 152.96 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 62.25 111.117 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -26.12 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 75.12 110.861 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -57.3 173.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 75.52 110.855 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 63.03 44.06 6.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 53.13 111.144 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 29.4 mtt -143.44 151.05 39.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 74.4 110.919 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.36 147.47 42.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 62.41 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 t -102.66 155.29 18.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 75.04 110.81 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.74 -57.25 0.43 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.717 -0.754 . . . . 73.35 112.452 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -129.68 64.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 72.02 110.863 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 t -100.43 52.85 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.858 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -91.8 63.02 4.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 71.1 110.868 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.8 mt -131.77 175.76 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 75.34 110.897 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 165.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.868 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.35 -43.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 52.32 111.073 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -97.39 151.8 19.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.943 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -112.48 148.43 34.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.873 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -150.0 128.68 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.912 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -132.33 114.98 15.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.33 110.877 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.26 141.26 32.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 74.2 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 160.44 8.96 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.682 0.753 . . . . 75.51 110.823 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.83 178.41 4.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.217 . . . . 71.44 112.305 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 m -151.28 117.6 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.3 t -63.18 -37.4 87.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 71.12 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -96.46 44.18 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.15 111.209 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -57.47 116.87 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 75.41 110.95 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -102.23 141.72 34.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 60.3 110.976 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -62.96 133.83 55.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 73.32 111.208 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -109.49 160.49 27.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.664 0.745 . . . . 75.55 110.837 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 143.56 51.56 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.748 2.299 . . . . 73.33 112.328 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.05 149.11 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 73.13 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttm -171.59 133.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.834 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 53.45 36.49 23.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.92 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -78.58 -34.33 46.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.925 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.4 p -87.0 104.22 16.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 73.35 111.131 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.28 -163.32 36.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 51.02 112.505 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -103.38 114.41 28.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.781 0.324 . . . . 75.44 110.93 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -124.76 142.77 51.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 70.41 110.878 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -129.54 81.98 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 64.44 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 t -171.38 130.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -108.01 42.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.898 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -158.8 171.88 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 75.12 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -130.77 28.31 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 72.23 110.869 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.21 -51.93 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 74.13 111.154 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 94.3 m -85.55 142.75 28.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 75.33 110.828 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt -127.85 145.67 50.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 75.42 110.917 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.4 127.38 45.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.14 158.68 18.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 74.53 110.828 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.14 -47.86 10.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 72.12 111.176 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.41 160.57 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 75.02 111.195 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -54.55 -56.02 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 74.54 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.95 -36.55 49.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.872 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.0 tp -57.0 -42.78 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 75.23 110.976 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.75 -64.43 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 64.43 111.16 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.3 mp -52.3 -35.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 65.21 111.097 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.0 -27.07 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -79.11 -53.5 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.05 110.925 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.23 -54.98 40.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.061 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.94 -33.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.32 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.71 -30.08 20.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 64.21 111.077 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -126.84 25.0 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 73.01 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt 51.89 47.03 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 65.34 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 44.9 mt -93.34 140.7 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 72.12 111.104 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.12 101.25 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.04 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -99.69 130.17 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.954 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -113.53 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 61.4 111.13 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.71 122.13 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 73.31 111.148 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 tp -109.32 114.18 27.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 75.33 110.888 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -108.5 160.77 15.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 54.42 110.918 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -127.94 109.38 11.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.857 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 56.54 72.24 1.02 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.648 0.737 . . . . 73.31 110.925 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.89 67.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.73 2.287 . . . . 63.2 112.353 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -68.91 174.48 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.95 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.4 p -122.52 27.19 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.45 111.13 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -56.56 158.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.145 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.33 156.2 57.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 74.31 111.178 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.81 61.29 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 73.34 112.405 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -137.87 122.93 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 71.33 110.896 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t -164.82 150.09 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 75.44 110.792 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -156.87 117.59 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 61.23 110.948 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.46 -179.13 4.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 74.13 111.104 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -142.72 132.07 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 50.14 110.866 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -147.52 153.41 39.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.45 110.845 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -152.13 130.36 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.32 110.877 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.6 p -151.66 149.49 29.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 75.42 111.14 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.74 73.1 28.92 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.561 0.696 . . . . 73.4 110.918 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 116.45 4.56 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.773 2.315 . . . . 71.31 112.286 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -94.51 87.68 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 75.32 110.928 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -113.89 151.06 32.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.934 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.7 mtp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 75.55 110.843 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.756 0.312 . . . . 70.1 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -118.36 59.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.949 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -138.27 146.61 42.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.867 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -125.52 159.86 30.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 72.45 110.91 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 m -131.1 140.33 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.42 111.108 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -169.66 157.53 7.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 61.34 110.797 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -133.35 153.2 51.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 74.44 110.876 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -57.61 178.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.483 . . . . 72.54 111.147 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -141.28 141.71 33.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 74.03 110.886 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.1 131.64 49.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.127 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -109.45 102.97 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 75.54 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 51.2 mt -96.42 135.66 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.177 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -129.29 135.92 49.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.876 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 152.98 50.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 75.32 110.942 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 109.37 2.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 75.55 112.33 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 150.73 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 61.04 111.117 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -76.03 166.2 23.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 73.11 110.891 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p 53.87 29.27 9.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.842 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.9 t -90.46 -32.03 16.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 72.13 111.151 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -146.76 154.51 41.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 72.33 110.911 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -76.38 -40.21 51.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 63.53 110.902 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -141.78 167.55 21.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 70.03 110.902 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.52 -37.77 4.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 53.35 112.46 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 61.85 49.05 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 72.43 110.844 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.5 p 51.96 37.48 21.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 74.33 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.04 152.31 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 65.25 110.837 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 21.7 mt -102.4 -26.92 13.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 73.45 110.898 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -109.73 134.92 51.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.825 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.35 -44.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.051 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -98.99 159.64 14.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.43 110.934 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -119.2 151.6 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -151.17 131.25 13.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.905 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -134.0 109.88 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.892 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -90.07 141.33 28.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 71.31 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.57 136.39 96.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.714 0.769 . . . . 73.31 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 134.3 27.5 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.714 2.276 . . . . 62.43 112.266 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -124.7 -54.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 74.35 110.897 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.7 p -151.29 178.01 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 62.42 110.885 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -107.11 118.29 36.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 73.33 111.149 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -129.46 139.33 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 73.45 110.86 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.4 111.46 1.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.99 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -123.04 139.75 53.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.53 111.113 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.82 160.5 36.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 71.34 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -28.73 24.54 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.714 2.276 . . . . 73.43 112.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 tp 51.05 67.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 72.33 110.882 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.9 ttp -160.71 163.65 32.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 73.31 110.88 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -57.3 171.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 74.14 110.855 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -53.7 126.63 22.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 74.21 110.927 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.3 p -108.17 -178.53 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 72.42 111.168 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.31 -107.24 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 71.31 112.449 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -119.06 -69.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.925 0.393 . . . . 71.44 110.854 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -129.76 60.07 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 72.42 110.908 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -113.95 30.44 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.33 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.9 p -82.87 168.52 17.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 74.3 111.162 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.18 134.42 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 73.13 110.882 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -57.61 140.1 51.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 72.41 110.909 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -103.6 163.11 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.885 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.6 t -121.73 -67.78 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 71.32 111.156 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.4 p -98.21 152.56 19.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.944 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.44 132.7 48.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 74.52 110.921 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.05 133.06 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.914 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -121.0 156.31 32.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 72.01 110.903 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -78.24 -49.84 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.52 111.126 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 172.68 7.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 71.14 111.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.1 ttt180 -71.59 -49.39 40.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 75.35 110.847 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -52.37 -29.46 24.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.89 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -43.69 95.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.912 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.36 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.52 111.077 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 mp -64.51 -32.9 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 75.25 111.163 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -24.94 67.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 73.51 111.095 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.96 -49.13 11.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 73.53 110.934 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -54.69 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.51 111.105 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.3 t -51.99 -33.02 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 74.23 111.125 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.94 20.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 75.11 111.113 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -122.64 24.62 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.881 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp 51.99 43.83 30.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.897 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.7 mt -94.84 140.83 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 71.25 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.25 107.31 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.901 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -100.64 137.23 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.92 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -117.45 139.12 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 74.24 111.16 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.6 m -97.62 120.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 65.42 111.137 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 mt -108.78 115.47 30.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -129.97 152.95 48.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.863 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.02 132.35 49.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.55 110.885 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 47.0 t30 55.1 70.25 1.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.673 0.749 . . . . 72.24 110.828 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.75 48.65 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.273 . . . . 74.05 112.326 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -66.52 151.75 46.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.89 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 t -142.47 145.14 33.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 74.31 111.087 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.6 mt 65.51 150.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 71.12 111.098 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.08 156.0 74.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 74.45 111.175 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 71.04 112.365 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -142.52 120.78 12.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 73.33 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 p -166.49 120.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 64.22 110.862 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -167.35 124.71 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 73.22 110.946 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.54 163.4 22.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.44 111.074 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -159.33 107.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.816 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -125.59 178.76 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.924 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -149.95 126.36 10.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 75.11 110.887 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -127.56 85.35 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 74.45 111.156 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -130.61 71.82 82.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.545 0.688 . . . . 74.41 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 173.97 10.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 71.35 112.28 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.97 157.38 40.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 65.15 110.841 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -151.91 168.75 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.837 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 28.4 ttm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 73.15 110.879 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 mmt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.75 0.309 . . . . 75.31 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -137.35 115.38 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 64.53 110.884 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -165.18 142.18 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 72.51 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -97.5 92.41 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.933 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -172.3 146.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 64.5 111.101 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -102.45 107.05 17.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 63.12 110.846 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -151.48 161.78 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 75.31 110.918 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -107.36 -177.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.22 111.067 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -143.4 148.75 36.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 73.43 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.02 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 54.32 111.159 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -95.92 102.82 14.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.859 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.9 mt -104.23 132.78 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 73.22 111.135 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -151.05 149.81 29.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 75.42 110.91 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -110.19 89.85 8.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 75.23 110.842 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 153.17 68.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 73.43 112.354 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.2 132.0 37.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 71.23 111.04 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -136.55 173.78 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -80.97 139.04 36.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 70.53 110.856 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -116.73 -40.79 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 75.14 111.167 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 mtp 61.62 35.66 17.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.02 110.862 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 54.21 48.72 20.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 74.32 110.913 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.2 p -73.38 139.7 46.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.907 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.29 -90.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.754 . . . . 74.12 112.458 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -75.66 141.82 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 75.23 110.828 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t -120.99 71.49 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 60.25 110.823 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -102.47 47.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.891 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.56 168.51 14.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.891 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -54.43 120.56 6.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 73.01 110.923 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.96 -38.17 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 74.25 111.109 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -109.16 140.13 43.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.92 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.06 134.22 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -125.52 124.61 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.22 110.935 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -130.11 103.38 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 71.44 110.876 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -86.05 141.18 29.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 74.21 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.06 160.21 9.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 72.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.63 126.91 13.96 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.669 2.246 . . . . 72.32 112.369 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 p -104.32 -26.27 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 54.24 110.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.6 m 63.32 35.62 12.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.834 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 t -103.99 147.71 27.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.151 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.85 88.98 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 75.5 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -93.65 81.6 4.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.95 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -96.31 85.25 3.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 74.12 111.132 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -175.6 71.78 0.27 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 73.22 110.929 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 115.65 4.19 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.718 2.279 . . . . 75.02 112.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mt -93.49 177.84 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.41 110.936 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.0 ptm -143.42 165.88 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.844 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.413 HD21 ' N ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -172.99 -178.9 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 71.05 110.897 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.43 -57.98 6.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 74.51 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.1 p -80.84 77.4 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 64.23 111.194 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.64 52.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 64.22 112.476 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.6 m -73.24 -28.81 62.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 75.11 110.802 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.1 165.86 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 73.2 110.881 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.33 140.4 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.845 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.5 m -95.64 41.14 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 74.44 111.128 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -54.74 173.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 74.5 110.917 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -71.18 93.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.93 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -106.64 160.61 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.946 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 m -113.44 -29.49 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 73.14 111.103 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 71.8 m -89.77 130.72 35.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.452 . . . . 74.24 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt -112.22 146.61 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.35 110.872 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -126.47 122.17 34.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.33 143.28 46.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.868 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.9 m -68.31 -50.33 54.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.146 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.2 162.39 16.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 75.42 111.094 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 ptt180 -66.66 -47.08 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.872 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -51.77 -30.49 23.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.858 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.84 -39.07 80.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 72.1 110.929 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.3 -61.55 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.119 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 mp -53.69 -34.06 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.109 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.87 -24.03 55.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 74.24 111.15 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.86 -45.24 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.24 110.943 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.21 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 65.55 111.097 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.61 -30.23 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.21 111.125 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.99 -28.57 38.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 75.05 111.194 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -126.75 24.93 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.83 44.8 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 73.33 110.92 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.0 mt -92.34 141.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.22 102.13 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 62.45 110.837 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.0 p90 -99.97 133.82 43.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 75.43 110.917 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -116.95 121.53 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 74.5 111.116 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.3 m -95.73 124.61 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.131 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -109.37 114.99 29.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.901 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -102.51 157.85 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 73.23 110.909 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.73 -36.35 83.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 60.51 110.897 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -164.7 143.08 5.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 62.43 110.914 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 111.54 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.663 2.242 . . . . 71.13 112.347 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -52.13 -60.68 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 72.22 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 t -140.74 137.14 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 71.41 111.145 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.22 142.77 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 73.43 111.083 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.0 t 52.13 73.83 0.89 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 75.13 111.171 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 155.79 64.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 74.32 112.352 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -57.72 -68.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.918 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.0 p -173.13 174.85 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 70.35 110.833 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -172.42 125.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.53 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.95 156.46 17.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 74.54 111.124 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -139.49 110.94 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.946 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -157.56 155.57 30.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.866 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -128.48 119.0 24.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 72.41 110.887 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.8 t -144.7 124.88 13.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 73.51 111.149 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -51.58 156.97 1.98 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 75.25 110.93 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 -29.21 23.83 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.66 2.24 . . . . 74.23 112.35 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 60.39 28.34 17.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.873 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -108.4 118.47 36.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 75.11 110.858 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 33.9 mtt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 63.13 110.843 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.696 0.284 . . . . 75.33 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -115.53 28.38 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 54.51 110.913 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -111.6 116.79 31.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 73.44 110.887 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -135.09 178.27 7.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 p -167.68 139.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 73.15 111.152 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -95.89 131.17 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.847 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -155.73 175.9 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 73.43 110.934 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -110.53 -179.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.44 111.193 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -143.74 155.05 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.869 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.26 151.82 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 60.43 111.058 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.96 103.11 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.908 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 70.9 mt -102.55 119.14 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 73.43 111.096 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -123.59 144.88 49.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 75.24 110.939 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -109.52 89.65 7.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.562 0.696 . . . . 73.12 110.863 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 102.57 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 74.32 112.357 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.94 112.46 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 63.45 111.091 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -169.39 -177.45 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 72.3 110.897 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.6 p -66.99 177.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.814 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.02 104.59 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 71.22 111.111 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -53.8 170.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.828 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -77.05 -34.23 57.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 75.01 110.891 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -119.65 127.0 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 52.51 110.856 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.72 -46.29 1.34 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 34.54 112.504 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 52.15 35.98 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 75.41 110.834 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 m 55.41 43.27 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 70.22 110.866 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.41 97.16 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 75.35 110.949 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt 52.48 37.27 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.43 110.903 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -156.83 111.44 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.873 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -116.83 -29.01 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 75.43 111.116 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -109.17 155.77 20.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.871 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -123.53 130.91 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 74.25 110.881 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -124.0 122.6 38.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.96 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -121.74 101.8 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 64.52 110.885 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -82.03 147.27 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.897 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -70.91 159.79 84.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 74.54 110.934 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 143.85 52.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 74.24 112.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -126.0 -72.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 73.3 110.838 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.3 m -143.43 163.2 33.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 74.4 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -58.87 139.46 56.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.125 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -121.63 134.54 54.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.944 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -80.45 73.12 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 74.45 110.903 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.5 p -62.18 139.5 58.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 75.22 111.159 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -158.18 68.5 3.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 73.53 110.888 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 154.4 67.56 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.673 2.249 . . . . 72.04 112.378 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.5 tp -56.71 -54.18 49.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.856 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpt -65.73 124.45 22.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.24 110.849 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -74.74 116.63 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -95.83 173.23 7.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.186 -0.461 . . . . 74.03 110.89 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.2 p -88.13 136.39 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 75.12 111.158 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.32 138.09 49.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 55.24 112.48 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -134.71 134.76 41.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 72.42 110.902 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -90.67 -52.35 4.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.853 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -86.63 113.69 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.905 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -171.36 157.96 5.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 74.13 111.17 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -92.07 -177.61 4.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 71.04 110.944 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -120.25 25.21 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 75.03 110.957 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -98.71 132.8 43.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.845 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.8 t -126.6 146.16 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.52 111.104 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 p -143.81 154.98 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.923 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -135.14 168.17 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.878 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p -112.01 146.2 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.823 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -117.74 173.56 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 72.43 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.29 -38.1 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 72.11 111.14 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -136.78 151.71 49.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.102 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -56.07 -40.55 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 75.52 110.863 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -51.38 -30.59 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.807 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.36 -34.6 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.42 -59.4 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 75.31 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.4 mp -59.04 -34.62 53.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.15 111.159 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.09 -31.49 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 70.1 111.081 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -69.98 -57.29 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 75.23 110.949 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.7 -53.2 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 64.23 111.133 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.4 t -53.33 -32.16 19.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 73.25 111.081 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.2 -35.31 59.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 75.51 111.149 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.69 17.71 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.864 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.26 47.4 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.914 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.1 mt -92.84 142.11 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.34 111.083 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.11 97.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.829 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 44.5 p90 -101.85 139.13 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.915 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -110.69 138.1 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 72.42 111.093 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.7 t -104.6 114.17 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.182 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.08 117.32 33.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.88 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -128.19 156.77 42.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.928 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -130.87 117.67 19.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 73.14 110.848 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 60.44 70.67 0.96 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 73.35 110.888 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 101.62 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.79 2.327 . . . . 74.33 112.366 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -86.33 74.65 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 75.53 110.826 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.8 m -103.28 76.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 61.53 111.232 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 17.0 mm -95.5 158.11 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 74.34 111.119 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.8 m -52.87 155.83 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 70.02 111.135 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 126.04 12.84 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.628 2.219 . . . . 74.55 112.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -128.38 131.07 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.909 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m -95.8 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.846 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -169.55 128.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 75.21 110.861 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.34 133.6 48.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 75.2 111.185 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -172.76 160.09 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 72.31 110.888 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -114.56 138.0 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 75.2 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -103.17 154.36 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 74.02 110.868 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.6 m -149.89 131.58 14.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.055 -0.52 . . . . 73.2 111.151 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -130.59 69.75 82.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.525 0.678 . . . . 74.21 110.889 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.7 153.55 69.06 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.734 2.29 . . . . 74.35 112.377 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -90.08 151.02 21.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 74.03 110.82 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -124.65 165.41 17.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 62.31 110.856 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 75.0 110.846 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.726 0.298 . . . . 75.31 110.911 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -163.02 130.51 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 75.11 110.906 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -168.46 123.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 75.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -125.33 176.52 6.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 75.1 110.944 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.9 25.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 74.32 111.08 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -104.7 -68.7 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.825 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -120.78 149.51 42.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.845 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 16.4 m -69.44 172.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 74.44 111.168 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -125.9 146.11 49.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.88 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.43 119.93 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 71.24 111.052 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -99.64 103.15 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.4 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -95.83 139.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.53 111.121 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -142.61 146.8 34.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.04 110.862 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -108.73 89.58 6.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.569 0.699 . . . . 73.3 110.829 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.17 43.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.739 2.293 . . . . 73.15 112.286 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.97 166.02 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 60.24 111.11 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -72.21 176.84 4.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.854 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.9 t -148.95 160.32 43.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.829 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.34 135.58 44.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 71.22 111.121 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.7 ttt 52.63 53.65 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 73.3 110.894 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.46 85.72 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 65.22 110.901 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.9 p -115.46 148.84 38.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.898 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.91 -86.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.826 -0.702 . . . . 64.13 112.53 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -116.75 -36.01 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 75.24 110.83 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.1 m -153.11 138.23 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 64.23 110.809 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -102.33 40.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 74.14 110.91 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -126.62 68.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 75.15 110.857 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -141.82 126.44 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 71.34 110.877 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.62 -40.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 74.55 111.064 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -111.11 158.38 18.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 74.54 110.882 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -126.32 152.27 46.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 73.01 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -143.58 134.71 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 73.1 110.982 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -133.81 104.16 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.91 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -86.33 138.38 31.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 73.23 110.895 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.97 160.22 48.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.593 0.711 . . . . 75.15 110.908 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.15 41.9 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.678 2.252 . . . . 73.51 112.38 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -110.43 -73.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 71.34 110.846 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.1 p -163.27 163.06 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.862 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -67.55 128.68 37.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 72.13 111.163 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -73.21 147.03 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 74.23 110.936 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -84.6 156.86 21.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 74.11 110.912 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 p -59.28 172.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 73.54 111.165 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -137.7 160.54 64.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.549 0.69 . . . . 74.32 110.936 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -17.51 37.47 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 74.44 112.368 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 pp -113.17 29.48 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 74.33 110.92 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -58.79 151.88 20.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 73.2 110.898 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -89.23 117.2 28.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 74.33 110.841 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -84.45 155.62 22.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 65.31 110.957 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 m 64.28 44.62 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 71.11 111.145 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.1 -150.85 7.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 73.05 112.509 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -80.8 171.53 14.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 72.44 110.895 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -92.62 153.45 19.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 65.01 110.927 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -71.21 143.35 50.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 74.42 110.925 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -170.73 164.99 8.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.31 111.151 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -96.27 120.68 37.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 75.22 110.869 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -146.23 124.85 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.874 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.71 128.62 30.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 63.13 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.0 m -126.16 136.12 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 64.24 111.159 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.8 p -120.69 154.46 35.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 70.12 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 pp -127.12 170.45 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.947 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -126.95 140.64 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 74.32 110.828 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -109.97 158.42 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 75.34 110.845 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -44.84 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 73.42 111.206 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -123.65 154.15 39.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 74.42 111.155 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -53.42 -53.46 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 73.11 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -53.2 -28.65 27.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 64.43 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.59 -33.82 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.914 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -73.88 -49.85 23.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 65.01 111.109 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.0 mp -66.91 -32.77 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.126 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.56 -25.31 67.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.109 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 28.4 t80 -79.34 -50.73 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.992 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.37 -56.15 18.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.15 111.088 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.86 -31.01 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 75.22 111.152 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.1 -30.67 27.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 64.33 111.121 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -124.23 25.23 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.851 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp 51.97 55.29 9.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 75.23 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -106.62 142.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 73.44 111.109 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -71.29 104.15 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.895 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.0 p90 -100.57 135.93 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 74.11 110.941 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -121.27 121.59 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 71.22 111.177 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 m -88.53 122.07 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.094 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 mt -109.19 108.09 18.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 74.3 110.896 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -110.77 162.84 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.938 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -53.05 -54.42 35.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 71.34 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -130.44 161.33 61.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.683 0.754 . . . . 73.44 110.824 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 176.58 6.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 72.51 112.327 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.17 143.93 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 74.31 110.901 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.8 t -97.98 151.02 20.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 73.44 111.097 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.8 pt -111.52 167.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 73.34 111.086 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.62 72.91 62.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 73.42 111.135 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.17 62.37 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.72 2.28 . . . . 65.22 112.373 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 170.84 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.895 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -166.6 140.82 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 71.32 110.861 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -160.56 114.48 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 75.21 110.926 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.56 133.94 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 75.13 111.048 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.72 149.39 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 75.13 110.876 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -67.64 121.78 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 74.25 110.936 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -122.38 159.14 28.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.9 t -152.47 164.43 37.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.34 111.187 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -93.18 137.64 23.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.596 0.712 . . . . 71.11 110.914 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -174.39 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.748 2.299 . . . . 74.14 112.344 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -112.51 122.74 48.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.887 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -116.03 175.56 5.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.838 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 74.53 110.856 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.792 0.33 . . . . 73.35 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.36 160.86 8.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 72.43 110.915 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -131.34 134.83 46.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -91.89 103.81 16.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 74.13 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.07 44.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 65.12 111.102 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -115.72 153.81 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 52.23 110.845 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -84.16 -70.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 74.51 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 m -117.25 178.54 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 72.12 111.094 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -137.26 146.83 45.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.43 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.05 128.9 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 70.12 111.103 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 102.93 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.882 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.6 mt -106.21 117.44 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 75.1 111.102 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -137.7 150.55 47.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 74.34 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -114.91 90.13 21.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 74.43 110.938 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 136.04 31.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 72.35 112.438 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.18 141.44 49.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 64.24 111.055 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -144.33 140.0 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 70.1 110.783 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -114.8 30.71 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 55.42 110.855 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -111.46 74.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 72.2 111.124 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.6 ttt -67.38 98.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 72.31 110.919 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -64.42 157.86 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 64.22 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -102.33 -179.79 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.893 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.3 -80.52 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.777 . . . . 63.35 112.593 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -91.32 151.59 20.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 75.31 110.89 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 p -114.27 42.49 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.822 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.76 138.5 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 63.32 110.89 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.46 176.36 5.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.933 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -52.17 118.44 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.912 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.54 -51.35 2.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 74.22 111.094 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -88.28 152.53 21.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 75.05 110.906 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -120.41 117.03 26.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -103.2 131.51 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 63.31 110.884 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -138.78 104.09 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 73.23 110.926 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -85.22 138.56 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 75.01 110.875 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.67 160.14 83.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 75.32 110.936 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.78 150.92 68.73 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.718 2.279 . . . . 74.45 112.4 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -100.78 -177.86 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.862 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -95.07 -55.32 3.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -62.6 159.11 16.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 63.44 111.144 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -85.15 151.77 23.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 75.33 110.908 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -87.89 164.5 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.917 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -57.51 149.88 20.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 71.41 111.147 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.59 160.55 59.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.684 0.754 . . . . 64.44 110.878 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.95 67.56 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 72.31 112.331 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -125.81 162.54 24.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.894 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.7 ptm -70.86 174.68 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 65.53 110.919 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -162.32 161.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 73.44 110.944 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 30.1 p90 -121.19 26.02 9.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 75.23 110.937 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.22 175.56 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 72.03 111.145 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.56 -99.33 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.786 -0.721 . . . . 43.51 112.548 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -134.25 65.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 70.14 110.859 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -86.33 113.43 22.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 73.11 110.897 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -63.26 147.84 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 72.11 110.836 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.83 99.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.219 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -162.45 121.86 2.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.933 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -96.43 131.11 43.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 74.33 110.895 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -87.78 129.31 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.35 110.882 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.6 m -103.19 -32.65 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.5 111.156 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.12 147.45 26.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.885 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -126.62 156.69 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 74.33 110.917 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.56 141.24 39.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.889 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -131.89 143.84 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.18 -48.79 49.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 75.02 111.198 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.65 177.54 4.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 74.3 111.171 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -48.26 18.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 64.52 110.892 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -50.1 -30.18 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 72.25 110.944 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 tp -79.24 -38.05 36.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.03 110.893 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.8 -64.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.067 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.0 mp -51.23 -31.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 72.1 111.103 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -51.18 -47.38 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.44 111.118 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.87 -50.7 60.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.885 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.55 -55.55 23.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 75.03 111.1 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.1 t -51.45 -30.7 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.31 111.109 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.14 -35.83 49.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 70.12 111.059 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -126.47 25.83 6.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.907 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.62 45.4 28.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.912 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 53.4 mt -91.09 141.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 65.52 111.129 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -71.3 107.43 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 75.02 110.883 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -101.61 130.03 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 74.31 110.979 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 t -105.89 133.89 49.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 70.22 111.116 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 9.2 m -105.83 110.98 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.136 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.1 mt -109.26 117.43 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -118.68 138.65 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 71.11 110.897 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -138.84 129.04 25.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.891 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 54.43 73.37 0.91 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.661 0.743 . . . . 71.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 131.83 22.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 74.11 112.348 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -132.91 136.23 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 73.23 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 t -159.26 136.39 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 71.32 111.13 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.4 pt -147.73 167.18 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.449 . . . . 70.43 111.17 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.9 t -129.47 71.99 82.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 75.23 111.17 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 145.18 56.29 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.265 . . . . 74.04 112.316 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 91.71 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 75.41 110.916 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -56.56 121.25 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.882 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -157.63 113.31 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 74.54 110.9 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.04 159.06 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.11 111.068 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -127.66 120.28 27.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 51.54 110.969 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 61.91 31.1 18.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 72.23 110.914 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -104.78 111.23 23.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.866 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 p -133.94 136.81 44.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.183 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.92 73.62 33.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.575 0.702 . . . . 75.3 110.916 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 172.65 12.25 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.686 2.257 . . . . 74.33 112.279 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -102.39 104.89 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.825 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -142.42 143.52 32.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 12.7 mtt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 70.45 110.869 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 ttm . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.74 0.305 . . . . 73.34 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -120.89 164.83 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 74.44 110.87 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -145.21 178.72 7.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 72.41 110.894 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -123.77 156.24 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 73.31 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -137.59 141.28 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 71.31 111.162 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -111.93 -74.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.839 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -76.01 168.22 20.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 71.14 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -72.21 -178.73 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 74.11 111.121 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -143.72 145.49 32.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.808 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.06 125.96 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.31 111.107 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -108.03 102.91 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.1 110.852 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.6 mt -94.81 141.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.22 111.09 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -141.56 130.19 22.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.944 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -79.62 152.96 75.77 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 71.3 110.878 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 157.54 60.09 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.632 2.222 . . . . 75.03 112.386 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.97 162.43 24.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 73.43 111.098 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -79.01 -36.08 41.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 74.5 110.904 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 t -108.24 81.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.893 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 t -99.37 35.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 73.53 111.175 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.3 mtm -101.49 64.45 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 65.3 110.832 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -104.82 -52.55 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 74.43 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -114.63 -73.07 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 70.04 110.911 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.3 -168.97 22.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 62.11 112.487 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -124.88 139.9 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 74.43 110.931 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.3 m -137.4 -179.29 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.805 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -127.93 42.97 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 74.45 110.925 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.1 mt -101.97 -28.23 12.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.05 110.92 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.26 153.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 74.33 110.936 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.67 -44.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 64.12 111.095 179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -97.07 157.2 16.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.442 . . . . 74.21 110.918 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -111.14 139.29 46.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.32 110.868 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -135.8 129.81 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.921 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -127.76 103.36 7.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.811 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -100.14 133.26 44.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.888 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -64.2 160.04 52.36 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.671 0.748 . . . . 75.24 110.913 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 153.31 68.93 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 72.24 112.305 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.32 -69.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.807 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.8 m -152.31 169.32 22.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.141 -0.481 . . . . 72.2 110.837 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -79.95 124.45 28.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 63.04 111.114 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -144.44 166.55 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 74.01 110.927 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -127.85 88.45 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 74.33 110.937 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 p -104.17 12.17 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 72.33 111.148 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -64.21 137.41 97.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 75.31 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 148.56 65.17 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.663 2.242 . . . . 64.04 112.352 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.04 28.51 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 75.14 110.905 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -117.18 28.63 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 75.22 110.842 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -95.25 64.45 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 54.12 110.836 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -52.47 -53.04 50.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 75.3 110.93 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -84.89 98.5 10.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.436 . . . . 73.51 111.173 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.0 143.3 5.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 71.22 112.497 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.7 p -70.69 169.56 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.365 . . . . 74.3 110.861 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -69.61 129.27 39.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 75.43 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.13 -60.3 2.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 73.5 110.866 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 m 55.5 42.89 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 64.44 111.158 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -129.39 132.89 47.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 75.34 110.944 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -103.79 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 72.44 110.955 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.99 163.64 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 64.34 110.964 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.89 -32.2 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 73.24 111.071 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.9 m -83.86 117.25 23.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 73.12 110.929 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.7 tp -118.07 126.06 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 64.32 110.949 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -97.48 153.36 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 62.5 110.865 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -137.47 157.79 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 72.14 110.913 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -54.06 39.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 71.42 111.166 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.8 p -137.98 166.94 22.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.138 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -53.38 -41.68 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.878 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.71 -35.44 42.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 70.31 110.883 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.48 -38.61 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 70.2 110.973 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.37 -60.71 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 71.15 111.1 179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -55.36 -35.8 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.128 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.87 -24.48 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 74.34 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -79.73 -46.54 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.877 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.68 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 74.32 111.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -52.11 -32.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 64.41 111.131 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.91 -30.11 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 62.33 111.013 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -122.33 24.61 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 73.43 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 51.93 55.58 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.78 143.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 74.23 111.111 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.37 104.51 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.879 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -100.36 130.92 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 75.33 111.003 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 t -113.8 124.96 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.23 111.189 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.62 114.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 73.43 111.091 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 tt -99.97 118.05 35.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.876 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -125.44 142.22 51.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 61.05 110.978 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -100.68 144.09 30.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.819 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 58.94 70.45 1.15 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 75.13 110.925 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 144.33 53.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.243 . . . . 71.3 112.342 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -129.23 124.26 34.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.828 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.6 m -76.51 107.3 8.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.115 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.7 pt -104.55 170.74 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 75.42 111.135 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 p -133.09 77.92 66.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.561 0.696 . . . . 74.23 111.174 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 101.59 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.766 2.31 . . . . 63.2 112.36 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -56.6 142.49 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.898 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.4 p -79.62 142.86 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 74.1 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -166.71 128.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 75.21 110.907 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.76 147.75 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 74.32 111.113 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -152.44 146.11 25.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 64.31 110.875 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -67.15 108.94 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.42 110.898 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -70.05 125.8 27.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 75.53 110.901 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.3 p -59.95 124.18 19.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 71.43 111.135 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -124.8 69.94 57.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 72.12 110.87 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 169.44 18.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.636 2.224 . . . . 72.34 112.351 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -116.78 119.33 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 62.51 110.854 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -163.14 130.92 3.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 8.6 mtp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 63.43 110.848 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ppp? . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.742 0.305 . . . . 74.44 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -80.49 136.51 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.855 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.67 123.02 28.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 64.43 110.868 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -86.52 142.7 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 75.11 110.955 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.3 p -167.21 145.26 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 74.43 111.168 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -71.23 -67.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.83 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -56.24 170.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 74.12 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 m -74.88 -179.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.51 111.083 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -142.94 155.81 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 75.12 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.83 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.1 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -98.34 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.883 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.9 mt -102.91 137.81 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 74.01 111.099 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -161.04 144.87 13.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -115.8 137.68 23.44 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.523 0.677 . . . . 74.42 110.975 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 170.11 17.31 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.651 2.234 . . . . 72.24 112.341 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.39 165.1 12.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 62.02 111.134 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -61.53 121.08 11.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.836 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -77.92 175.41 10.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.827 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -127.28 29.04 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 72.44 111.11 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.5 tpp -98.73 -35.04 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 75.15 110.874 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 56.06 29.58 14.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 71.21 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -80.65 -63.57 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.03 110.871 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.06 176.21 20.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 54.51 112.497 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -143.51 169.05 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 73.44 110.858 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.8 p -172.05 139.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 72.52 110.842 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -119.44 34.05 5.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 72.05 110.877 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.21 -37.31 10.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 75.45 110.949 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -127.51 123.95 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 73.24 110.918 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.86 -43.46 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.117 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -111.82 145.94 38.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 74.4 110.895 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -111.35 142.87 43.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.93 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -135.34 127.22 29.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.883 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -132.08 107.43 8.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.868 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -85.45 138.98 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 73.53 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.43 160.17 19.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 64.43 110.894 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 161.89 44.2 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.743 2.295 . . . . 74.34 112.308 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.13 119.41 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 72.43 110.87 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.81 113.87 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 74.14 110.896 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.0 p -120.17 164.87 15.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 64.42 111.175 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -123.25 30.87 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 71.45 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -140.59 144.1 35.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 75.35 110.899 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.1 t -99.26 145.88 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 63.42 111.165 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -154.63 70.75 6.0 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.651 0.739 . . . . 73.31 110.793 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 149.56 66.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 71.14 112.328 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 tp -122.26 111.96 17.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 63.54 110.901 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 ttt -66.33 -47.58 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 75.34 110.832 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -66.52 121.89 16.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 74.22 110.872 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -168.43 138.75 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 75.34 110.97 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -79.19 118.5 21.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 71.42 111.18 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.07 118.66 4.5 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.782 -0.723 . . . . 65.4 112.448 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.3 m -74.27 -26.94 60.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 52.22 110.888 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -52.68 -31.03 35.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.906 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -122.21 132.62 54.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.907 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.2 p -126.9 26.11 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 73.13 111.127 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -137.73 178.25 7.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 74.25 110.904 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -104.01 102.39 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 75.43 110.985 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -66.52 163.94 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.958 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.4 t -78.78 -26.55 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 75.4 111.054 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.2 m -84.57 133.68 34.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 71.23 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 mt -120.58 146.81 45.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 72.1 110.931 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 t -126.95 134.74 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.811 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -132.12 130.18 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 74.54 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -59.47 -48.16 82.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 53.5 111.16 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.81 148.85 39.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 75.14 111.144 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -42.89 88.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.91 -30.23 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 70.13 110.923 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 tp -70.92 -38.87 72.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 73.5 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.4 -62.02 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 42.43 111.133 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.3 mp -53.16 -34.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 74.32 111.143 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.05 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 64.35 111.051 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -79.66 -55.97 4.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.406 . . . . 74.23 110.884 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.63 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 73.22 111.104 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.8 t -51.98 -33.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.119 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.46 -26.66 32.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 74.04 111.211 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -126.47 26.46 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 75.51 110.866 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.04 32.05 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.897 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.3 mt -80.66 139.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 73.34 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -71.94 105.95 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 70.51 110.893 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.7 p90 -100.87 137.89 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.15 110.953 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.62 120.87 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.34 111.149 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.83 118.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 71.43 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt -109.17 111.03 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.915 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -102.67 152.2 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 72.24 110.946 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.93 -36.38 83.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 71.22 110.855 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -159.65 69.55 3.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 75.34 110.923 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 163.12 39.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 65.22 112.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -133.89 91.21 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.874 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 m -66.17 121.8 16.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.12 111.13 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -68.64 168.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.127 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.3 t 51.16 74.56 0.78 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.593 0.711 . . . . 75.53 111.21 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 81.68 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.706 2.271 . . . . 64.44 112.309 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -139.28 130.76 27.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 73.33 110.98 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 m -63.39 158.52 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 74.44 110.868 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -167.12 111.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.948 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.34 -179.15 6.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 73.12 111.063 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -141.88 164.08 31.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.898 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -116.43 94.9 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.828 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -110.9 176.23 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 75.35 110.856 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 p -124.93 132.39 53.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 72.4 111.161 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -141.37 70.91 26.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.595 0.712 . . . . 74.1 110.868 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.89 -37.26 9.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 74.22 112.31 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -146.73 140.38 25.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 73.15 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.72 -68.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 71.23 110.842 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 36.4 mtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 74.2 110.91 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.729 0.3 . . . . 73.24 110.802 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -119.17 133.07 55.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 74.52 110.972 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 54.97 57.35 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.949 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -78.42 150.87 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.918 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.1 t -144.0 148.75 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.14 111.142 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -93.23 45.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 74.41 110.843 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -149.43 170.23 19.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.886 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -76.17 159.13 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 75.5 111.118 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.36 153.53 38.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 75.42 110.828 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.55 127.05 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.109 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -105.89 103.68 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.866 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 46.1 mt -99.27 134.75 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.52 111.115 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -139.87 140.03 36.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 75.02 110.87 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 ptmt -109.34 89.68 7.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 65.4 110.921 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -23.46 30.56 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.705 2.27 . . . . 64.4 112.35 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.15 127.38 33.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 70.53 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -105.58 -47.92 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 73.3 110.888 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 p -109.76 173.63 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 74.32 110.912 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.9 147.83 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 75.05 111.168 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.4 tpp -100.63 120.59 40.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 73.42 110.857 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -107.18 -56.63 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.919 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.2 m -72.5 158.57 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 75.02 110.858 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.59 124.75 3.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.667 -0.778 . . . . 74.44 112.524 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -99.33 -30.52 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.354 . . . . 75.15 110.869 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.6 t -98.27 28.79 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 64.54 110.862 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -114.64 91.56 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 74.52 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.72 -42.18 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 71.41 110.93 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -52.35 147.86 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.943 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.85 -42.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 65.44 111.113 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -102.61 148.48 25.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 71.42 110.895 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 140.36 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.43 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -135.46 129.13 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.25 110.9 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -131.87 109.84 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.914 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -91.93 136.59 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.81 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -58.45 136.3 85.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.692 0.758 . . . . 72.23 110.902 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 124.75 11.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 73.32 112.364 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -98.33 -64.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.52 110.816 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 t -135.63 143.87 45.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 73.42 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -73.43 156.09 38.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 74.24 111.151 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 57.15 38.94 29.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 73.35 110.898 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -61.81 174.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.15 110.892 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.4 m -86.84 102.56 14.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 71.43 111.158 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -51.7 156.84 2.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 75.42 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 176.25 7.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.267 . . . . 75.43 112.336 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.64 145.66 54.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 75.22 110.86 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -58.38 130.24 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.943 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -131.39 126.1 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 72.42 110.882 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -114.87 -26.39 7.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.898 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -31.31 32.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 75.41 111.126 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.48 -161.0 25.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 61.42 112.478 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 p 53.78 33.44 16.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.902 0.382 . . . . 74.34 110.847 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -81.85 -30.37 32.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.901 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.36 -45.31 65.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 74.23 110.875 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.2 m -91.66 123.08 34.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 74.35 111.163 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -160.02 133.38 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 75.1 110.833 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 57.83 33.11 22.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 64.23 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -122.64 128.26 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 75.34 110.946 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.8 m -57.51 -34.3 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 72.51 111.082 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.22 136.04 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.904 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.2 tp -116.91 126.79 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.878 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.0 m -95.63 165.63 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 70.01 110.853 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 35.4 m-85 -148.06 141.13 24.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 75.13 110.909 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -46.74 78.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 74.33 111.174 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -135.11 150.1 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.143 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.31 -38.01 57.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.888 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -53.41 -31.42 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 74.54 110.939 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 tp -77.72 -38.28 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 73.3 110.905 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.12 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.132 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.1 mp -51.79 -34.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 74.1 111.096 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -59.29 -33.21 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.4 111.118 179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -75.41 -52.5 10.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 75.15 110.901 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.85 -51.19 70.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 74.11 111.109 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.15 -31.97 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.137 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.68 -29.96 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.32 111.125 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -121.39 25.53 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.86 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt 51.94 33.13 11.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.887 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.9 mt -82.73 137.18 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 74.11 111.128 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.49 106.99 4.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 61.41 110.876 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -100.44 138.35 37.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 75.25 110.93 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -115.2 132.68 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 75.24 111.139 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.1 m -98.26 119.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 73.5 111.115 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.5 mt -109.26 122.9 48.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -123.83 135.42 53.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.844 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.09 126.7 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.85 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.43 72.61 0.83 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 74.41 110.879 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.38 69.06 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 74.25 112.363 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -153.44 135.01 14.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.6 m -65.59 122.67 17.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 63.12 111.198 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.8 mt -78.84 140.62 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.16 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 m -115.66 71.27 3.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 73.31 111.114 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.71 94.44 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.709 2.273 . . . . 65.41 112.391 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -52.43 111.89 0.72 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 75.12 110.877 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.5 m -160.42 165.05 31.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 71.41 110.851 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -158.07 114.99 2.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 71.52 110.934 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.69 -178.14 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 63.22 111.029 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -147.88 175.97 10.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 75.34 110.834 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -151.97 106.8 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 64.24 110.835 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -100.38 120.57 40.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 71.22 110.911 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.1 p -76.07 170.94 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.03 111.137 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -165.78 71.75 1.28 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.538 0.685 . . . . 71.45 110.935 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 131.31 20.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.642 2.228 . . . . 75.41 112.31 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 179.26 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 74.52 110.918 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -87.65 153.1 21.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 71.41 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.2 tmm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 61.23 110.933 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.699 0.285 . . . . 74.25 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -126.53 157.42 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 72.45 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -120.89 158.06 28.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 71.04 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -161.47 137.01 7.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 75.33 110.97 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.98 141.6 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.25 111.111 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -65.79 101.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 71.42 110.821 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -135.14 158.16 45.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.822 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.0 m -110.04 171.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 73.2 111.212 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -131.61 149.45 52.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.88 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.39 129.13 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 73.54 111.109 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -108.01 104.21 13.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 64.41 110.943 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 34.5 mt -97.69 121.95 48.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 72.43 111.127 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -118.6 137.97 52.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.877 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -108.52 89.63 6.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.529 0.68 . . . . 72.14 110.933 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 154.43 67.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 74.41 112.368 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.54 154.92 25.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 73.01 111.166 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 146.07 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 72.54 110.864 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 t -119.47 152.95 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.869 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.9 p -53.95 -43.9 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.1 111.162 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.6 ttt -102.72 104.2 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 75.41 110.887 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -83.04 -71.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.878 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m 57.5 34.36 24.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.862 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.46 -53.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 74.15 112.474 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 m80 56.85 50.23 12.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 75.22 110.833 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m -103.8 74.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.84 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -18.04 65.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 75.01 110.864 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.3 mp -52.03 -39.28 59.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 74.41 110.948 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -117.3 122.11 43.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.814 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.96 -29.95 5.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.22 111.105 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -111.79 151.31 29.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.916 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -108.28 144.74 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 62.42 110.93 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -139.53 127.74 22.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.929 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -131.37 106.64 8.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -92.74 137.36 32.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.24 110.904 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -57.95 136.41 83.74 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.645 0.736 . . . . 74.34 110.902 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.72 33.59 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 71.2 112.357 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -171.64 177.91 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 62.24 110.814 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.61 169.17 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.508 . . . . 74.21 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t -171.58 164.65 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.189 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -77.78 -179.56 6.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 72.15 110.837 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -83.25 142.95 30.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 72.54 110.941 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.5 p -110.46 160.32 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 64.22 111.154 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -119.37 160.5 41.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 74.21 110.938 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 155.17 66.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 73.12 112.349 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.64 155.08 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.33 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -124.52 105.29 9.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 72.54 110.826 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.7 t30 54.95 36.12 26.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 74.14 110.85 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 3.5 t90 58.96 42.13 19.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 75.21 110.847 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.7 138.08 30.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 72.12 111.166 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.55 -74.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 73.2 112.43 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 p -125.48 -179.83 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 75.54 110.865 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -81.24 -178.91 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 71.1 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.1 169.38 2.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 71.33 110.824 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -78.14 89.96 4.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 72.54 111.149 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -149.84 165.81 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 73.24 110.954 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -158.82 128.07 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 74.22 110.926 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -136.14 161.81 34.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 61.41 110.947 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.57 -40.65 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 73.33 111.133 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.3 t -114.74 147.59 39.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.946 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.9 tp -118.14 125.62 50.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 63.41 110.907 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 p -99.14 161.99 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 75.52 110.818 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -145.18 162.31 37.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 75.24 110.85 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -46.93 16.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 74.15 111.199 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -134.39 161.36 35.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 65.33 111.084 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -59.51 -39.43 83.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.853 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -51.68 -31.6 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.51 110.872 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.82 -38.05 62.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.934 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.08 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -51.97 -34.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.155 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.48 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 72.3 111.131 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 5.0 t80 -67.83 -50.23 57.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.892 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.41 11.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 63.23 111.127 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.66 -29.99 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 71.14 111.135 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.71 -29.92 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 70.14 111.159 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -124.79 26.03 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.867 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 51.8 45.67 27.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.5 mt -95.5 140.97 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.12 111.13 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.36 104.5 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 61.23 110.808 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -100.1 136.36 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.002 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.5 t -115.79 123.73 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 63.23 111.131 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 m -96.66 119.29 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.126 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.4 tp -109.29 115.11 29.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.867 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -128.8 140.07 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.942 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -96.43 150.9 20.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.854 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 54.46 69.85 1.94 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 73.12 110.902 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 100.74 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.656 2.237 . . . . 75.3 112.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.67 153.46 30.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 75.12 110.894 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.1 p -116.97 165.84 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.1 111.185 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 40.8 mt -109.56 139.67 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 75.42 111.143 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.5 m -118.11 73.2 9.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.633 0.73 . . . . 75.35 111.136 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.84 34.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 72.25 112.353 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 92.89 8.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 73.22 110.915 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.5 t -82.37 108.37 15.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.865 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -154.29 115.63 4.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 73.03 110.904 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.34 63.78 7.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.037 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -79.25 81.73 5.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 72.52 110.843 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -138.21 140.2 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.878 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -141.84 155.5 45.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 73.11 110.818 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 81.0 p -127.86 175.06 8.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 72.34 111.134 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.24 155.05 68.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 74.41 110.859 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 142.7 48.72 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.691 2.261 . . . . 70.32 112.358 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -88.09 -179.24 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 70.32 110.927 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -123.25 166.26 15.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 11.4 ttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 73.15 110.874 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.74 0.305 . . . . 72.23 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -62.67 107.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 70.41 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -121.83 88.87 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 75.01 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -71.42 130.01 40.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 74.41 110.908 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.25 144.51 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 75.15 111.072 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -130.69 56.76 1.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 63.22 110.849 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -139.91 165.18 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 75.01 110.871 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 m -104.55 163.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 72.45 111.091 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -141.77 158.53 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 73.3 110.85 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.26 130.18 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 53.34 111.126 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.5 mtm-85 -112.32 103.95 12.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 74.1 110.846 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.4 mt -100.96 134.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.53 111.185 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -137.17 133.19 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.868 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.53 153.05 61.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 74.14 110.862 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -174.0 0.83 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.678 2.252 . . . . 74.13 112.376 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.83 132.16 48.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.109 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -78.17 70.18 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 74.44 110.903 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -162.4 159.34 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.835 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -110.19 139.19 45.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 64.15 111.128 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 mmt -129.18 -57.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.897 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -153.1 139.18 18.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 75.42 110.917 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -89.35 -72.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 73.31 110.848 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.64 -105.93 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 52.52 112.442 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -114.85 167.17 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 70.35 110.836 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t -113.14 43.96 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 74.44 110.845 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -113.93 51.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 74.25 110.925 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.79 141.42 27.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 74.34 110.914 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 122.48 17.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.882 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.75 -43.0 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 75.1 111.144 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -88.84 157.53 18.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 73.24 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -126.11 122.39 35.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.93 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -116.92 131.77 56.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.919 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.2 tt0 -140.31 113.91 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.864 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -94.21 148.74 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.09 136.37 84.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 64.33 110.853 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -171.62 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 52.14 112.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m 60.71 50.55 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 63.24 110.838 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.9 m -66.67 97.88 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.905 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -92.49 -26.13 18.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 74.5 111.119 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -80.16 -54.85 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 72.32 110.949 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -107.5 98.43 8.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 74.35 110.885 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -124.18 47.01 2.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.514 . . . . 75.33 111.139 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -125.12 160.52 54.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.717 . . . . 74.15 110.913 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.98 55.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.762 2.308 . . . . 75.33 112.291 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -107.46 -33.63 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.31 110.906 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 ptp -149.43 144.93 26.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.874 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.86 113.91 14.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.858 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -113.2 107.35 15.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.932 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p 46.41 59.69 3.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 71.32 111.119 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.87 143.13 3.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 54.14 112.509 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.8 p -86.93 130.67 34.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.371 . . . . 75.33 110.797 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.0 t60 53.42 39.63 30.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.54 110.817 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -113.91 102.29 10.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 72.23 110.907 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.0 t -139.26 172.07 13.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 63.53 111.148 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -124.6 117.0 23.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 74.52 110.894 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -125.3 155.72 39.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 65.41 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -141.89 136.48 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 72.5 110.845 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.9 m -54.31 -33.66 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 64.24 111.128 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.5 p -131.67 142.4 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 pp -137.87 172.47 12.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 73.05 110.914 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 29.4 m -127.46 147.81 50.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.859 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -123.33 165.85 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.902 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -82.73 -46.7 12.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.479 . . . . 62.44 111.142 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 p -133.74 159.04 41.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 74.44 111.155 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -41.18 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.882 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -51.58 -30.45 20.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.916 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -78.53 -39.64 37.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.908 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 71.4 111.102 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -51.52 -34.86 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 72.34 111.143 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -52.82 -41.31 64.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 52.02 111.149 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -65.7 -53.54 39.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 75.22 110.934 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.22 -55.58 31.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 74.25 111.046 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 91.6 t -52.34 -32.19 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 75.34 111.146 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.86 -33.47 36.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.22 111.124 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -123.48 24.72 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 74.44 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 51.92 34.5 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.881 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -79.46 140.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 74.44 111.142 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.08 104.09 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 50.4 p90 -100.21 133.22 44.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.913 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.8 t -108.7 131.57 54.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 74.12 111.167 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.3 m -94.82 121.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 75.33 111.145 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.0 mt -108.45 121.44 44.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 73.31 110.964 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -106.87 161.34 14.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 75.21 110.948 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.06 121.66 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 64.45 110.916 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -123.62 73.36 52.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.712 0.767 . . . . 70.53 110.89 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 178.82 4.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 65.12 112.323 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -83.99 122.41 28.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 72.23 110.873 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.6 m -123.04 116.67 23.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 71.44 111.156 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 39.0 pt -53.62 140.92 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.16 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.0 p -130.54 77.92 75.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 72.54 111.116 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 148.72 65.95 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 64.4 112.373 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -80.91 128.95 34.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 75.2 110.873 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 p -170.77 140.52 1.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 75.21 110.849 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -173.32 131.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 64.52 110.949 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.08 102.0 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.508 . . . . 72.41 111.028 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -69.6 104.65 2.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.835 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -125.94 99.05 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.872 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -114.05 143.65 44.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.898 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.9 m -140.2 133.12 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 63.41 111.178 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -158.4 157.6 29.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.528 0.68 . . . . 74.44 110.917 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 178.7 4.29 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.626 2.217 . . . . 75.34 112.365 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -147.84 150.5 34.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 75.23 110.885 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -91.3 161.76 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.922 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.719 0.295 . . . . 64.41 110.852 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -87.03 97.03 10.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 72.24 110.918 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -133.74 179.16 6.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.959 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -117.31 127.73 54.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.885 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 t -113.2 106.32 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 74.01 111.13 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -65.52 -72.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.816 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -60.69 139.43 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.51 110.87 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.5 m -57.52 -178.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.25 111.215 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.15 147.84 35.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.41 110.917 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -117.32 156.75 27.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 53.35 111.091 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -121.74 102.74 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.874 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 86.6 mt -97.54 125.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.086 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -124.73 144.42 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 71.23 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -115.82 89.6 24.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 73.1 110.889 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 134.86 28.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.656 2.237 . . . . 73.45 112.35 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.61 165.6 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 75.31 111.062 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.24 41.08 2.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 74.22 110.873 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -96.69 35.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 73.21 110.818 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -93.33 142.51 27.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 73.24 111.127 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmm -111.07 -51.87 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.831 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.96 133.18 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 71.35 110.938 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m 59.64 31.8 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 73.13 110.841 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.33 137.11 38.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 72.35 112.427 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -138.14 171.57 14.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.343 . . . . 75.35 110.859 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -154.36 177.95 10.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 75.5 110.845 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.54 68.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.12 179.38 4.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 72.35 110.961 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 147.92 6.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 75.01 110.865 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.59 -33.29 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 75.3 111.101 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -102.82 157.7 16.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -120.56 145.27 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 74.13 110.911 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -137.71 127.52 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.5 110.924 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -130.49 101.46 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.15 110.95 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -84.65 144.65 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 74.23 110.868 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.25 154.64 82.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 73.13 110.84 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.6 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 74.42 112.408 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -92.67 -41.75 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 65.52 110.819 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.6 m -136.5 178.55 6.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.906 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -114.31 -51.82 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 70.14 111.199 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -66.01 155.29 37.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -127.3 131.09 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.943 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.9 p -70.74 173.77 6.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 74.52 111.121 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.65 156.82 2.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.695 0.76 . . . . 75.33 110.903 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 102.01 0.98 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.682 2.255 . . . . 73.11 112.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 tp -146.69 122.73 10.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 75.41 110.961 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.7 mtp -149.94 158.0 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.882 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -73.97 -55.22 6.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 73.41 110.93 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -123.86 109.67 13.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 75.53 110.885 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 p -97.08 -64.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 65.14 111.079 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.65 -159.37 53.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 74.32 112.452 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -85.79 93.47 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 74.13 110.824 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -82.04 147.08 29.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 75.32 110.804 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -107.15 -50.28 3.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 75.53 110.932 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.0 p -125.1 155.04 40.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 74.22 111.088 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -66.73 120.41 13.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 75.02 110.845 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.81 102.99 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.95 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -123.56 -36.08 2.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 72.41 110.97 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.6 m -110.98 -27.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.32 111.115 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.2 p -112.99 123.89 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 74.12 110.892 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.2 tp -126.38 131.44 51.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 75.33 110.892 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 p -100.2 158.72 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.85 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 46.9 m-85 -137.95 164.7 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 71.1 110.911 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -50.36 7.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 70.52 111.207 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -130.15 159.81 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 75.32 111.124 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -58.24 -39.28 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.86 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -52.44 -30.03 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.877 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 tp -82.65 -37.04 25.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.883 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.55 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 111.125 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.5 mp -52.43 -34.13 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.155 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.06 -31.39 63.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 71.43 111.15 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -73.35 -53.09 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.32 110.928 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.03 -55.14 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 73.52 111.098 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -54.26 -27.99 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 72.1 111.144 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.04 -34.67 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 61.25 111.097 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -126.94 27.5 5.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 75.11 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 51.84 40.6 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.5 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.5 mt -83.59 137.34 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 75.24 111.144 179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.24 97.95 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.51 110.943 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -99.87 139.13 35.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.888 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -104.21 130.93 51.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 74.35 111.123 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.11 116.22 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 60.22 111.175 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.38 111.54 23.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 75.24 110.85 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -129.34 165.09 22.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -102.39 133.98 46.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 72.05 110.888 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 61.89 70.63 0.83 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 71.42 110.838 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 119.05 6.06 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 64.35 112.307 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -171.54 114.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 74.22 110.928 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.5 t -130.67 134.34 46.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.118 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 5.1 mp -94.52 141.5 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.11 111.138 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.1 t 54.49 70.86 1.5 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 74.04 111.102 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.27 69.45 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.721 2.281 . . . . 74.34 112.345 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -130.75 102.78 6.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 72.03 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -102.43 144.81 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.25 110.898 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -174.72 115.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.929 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.34 165.57 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 74.31 111.097 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -97.61 167.25 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.884 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -101.86 139.37 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 64.52 110.893 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -80.53 139.02 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.22 110.807 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 t -172.82 133.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.13 111.108 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 55.51 70.93 1.38 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.731 . . . . 72.13 110.922 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 124.39 11.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 74.4 112.324 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -54.69 104.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 63.31 110.846 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -147.76 140.07 24.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 75.51 110.911 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 70.1 mtm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.842 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.72 0.295 . . . . 71.44 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -151.11 141.55 22.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 73.12 110.934 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -169.72 113.97 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 74.51 110.856 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -55.58 114.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.2 p -131.84 129.1 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.22 111.179 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -104.27 -29.86 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 75.31 110.87 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -86.8 -175.7 5.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.925 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.0 m -111.4 179.63 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 63.52 111.134 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -141.53 155.32 45.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.897 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.57 118.99 38.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.21 111.106 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.6 ttm-85 -97.2 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.34 110.891 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.2 mt -105.46 136.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 75.34 111.067 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -165.08 149.66 9.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.936 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -108.43 89.91 6.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.488 0.661 . . . . 73.15 110.893 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -179.81 3.17 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.635 2.223 . . . . 72.11 112.357 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 165.24 20.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 74.4 111.106 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -71.58 179.07 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.33 110.939 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -146.15 174.56 11.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.435 . . . . 63.5 110.796 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.6 p -86.14 165.2 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 72.51 111.096 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.7 mtt 58.08 43.42 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.95 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -105.8 152.4 23.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 70.34 110.943 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.7 44.5 11.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.24 110.914 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.02 -95.88 2.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.503 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -127.4 34.73 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 74.02 110.808 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -131.59 169.89 15.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 74.25 110.913 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -58.32 156.12 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.847 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.26 132.72 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.887 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -141.81 123.72 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 61.13 110.83 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.33 -31.76 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 62.12 111.059 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -118.55 154.44 32.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 74.03 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -113.01 139.96 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 75.24 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -135.25 124.93 25.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 72.3 110.891 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -128.87 104.61 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.848 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -89.43 138.21 31.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.855 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.81 160.19 74.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 74.1 110.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 131.27 20.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.752 2.302 . . . . 74.41 112.338 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.5 p -110.16 170.96 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.13 110.859 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.5 m -90.34 67.91 6.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 65.44 110.887 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 p -74.38 171.49 13.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.093 -0.503 . . . . 71.22 111.148 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -124.87 35.72 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.966 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 62.55 36.45 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 72.12 110.944 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 m -123.9 70.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 75.23 111.126 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -126.78 72.17 74.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 73.13 110.916 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 146.55 60.76 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.665 2.243 . . . . 74.22 112.378 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -118.23 -175.1 2.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 65.03 110.901 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttp -126.07 -62.1 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.86 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -62.4 175.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -100.66 155.49 17.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.921 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.6 p -82.63 158.49 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 71.53 111.112 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.79 -143.44 14.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 73.15 112.499 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -123.87 100.16 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 74.42 110.867 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -145.34 161.63 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 62.11 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -77.5 -64.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.897 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.4 t -158.25 149.01 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 74.52 111.2 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -153.1 124.31 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 73.53 110.898 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -63.44 133.38 53.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 64.02 110.947 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -84.39 -38.26 20.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.41 110.915 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 38.7 t -52.23 -31.29 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.23 111.134 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.7 t -117.85 133.83 55.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 64.24 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -150.61 171.42 17.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 64.21 110.944 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 132.04 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 75.51 110.886 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -105.49 147.93 27.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.913 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 m -60.7 -52.39 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.086 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.45 173.09 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 73.34 111.127 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -70.74 -50.54 35.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.842 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -51.91 -33.0 35.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 74.51 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.58 -45.42 77.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -59.04 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 111.125 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.2 mp -52.94 -40.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 75.5 111.128 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.29 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.13 111.088 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -80.74 -53.44 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.918 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.66 -55.02 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 52.12 111.118 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.64 -31.32 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 72.11 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.78 -30.71 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 51.12 111.093 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -126.93 25.25 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.827 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 51.8 58.7 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.881 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.3 mt -106.9 143.38 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.44 111.156 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.29 100.41 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.84 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -99.97 130.95 46.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.935 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -113.1 120.9 42.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.169 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.9 m -94.08 119.93 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 74.52 111.158 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -109.5 108.37 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 71.34 110.94 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -117.1 157.69 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 74.53 110.913 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -99.1 145.24 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.834 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.6 t30 56.43 68.62 2.13 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.635 0.731 . . . . 64.11 110.896 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.98 69.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 65.31 112.35 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -77.39 152.77 34.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 72.34 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.3 m -141.63 127.81 19.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 73.43 111.105 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 46.6 pt -104.26 152.38 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 71.24 111.156 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -66.22 133.28 94.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.636 0.731 . . . . 74.13 111.123 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 147.62 62.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 74.14 112.389 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -82.28 135.73 35.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.868 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p -130.48 132.3 45.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.775 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -166.23 115.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 75.21 110.925 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.53 158.58 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 72.25 111.109 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.33 -178.45 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.414 . . . . 60.25 110.824 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -104.98 177.34 4.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 75.42 110.891 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -151.38 176.6 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 63.12 110.928 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.9 t -172.06 138.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 73.33 111.166 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.01 160.04 66.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.675 . . . . 74.3 110.871 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 137.91 36.87 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.244 . . . . 71.24 112.393 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.27 71.88 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 75.05 110.865 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -174.64 136.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 71.33 110.847 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.2 ttp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.85 -179.933 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.659 0.266 . . . . 63.42 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -131.92 -50.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 74.05 110.901 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -96.48 95.76 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.874 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -97.91 135.14 40.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 71.53 110.948 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -134.05 -178.57 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.54 111.108 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -131.71 49.91 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -157.62 153.55 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 73.12 110.892 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -120.92 176.27 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.22 111.132 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -139.3 151.18 46.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 75.05 110.871 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.47 135.38 44.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.41 111.109 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -109.66 103.09 11.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.847 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.6 mt -101.97 139.61 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.183 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -140.57 130.13 24.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 75.12 110.938 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -77.15 153.03 82.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 75.13 110.891 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 158.86 55.5 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.705 2.27 . . . . 74.22 112.283 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.27 140.15 30.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 74.13 111.157 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -77.18 121.64 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 72.24 110.956 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -105.01 160.07 15.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 71.5 110.909 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.0 m -78.63 80.11 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 65.43 111.129 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.8 mtt 52.25 42.91 31.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 65.31 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -117.1 61.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 72.04 110.858 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 m -101.25 169.39 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.66 -167.56 19.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.795 -0.717 . . . . 73.15 112.485 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -96.93 -45.13 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 73.12 110.917 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.1 m -116.6 81.88 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.842 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -110.9 77.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 73.43 110.878 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.63 -73.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 74.5 110.951 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -66.24 129.3 39.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.14 110.885 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.13 -38.19 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 72.42 111.094 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -99.53 160.35 14.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.903 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -110.97 140.93 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 63.2 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -139.88 128.61 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.87 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.58 107.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 75.43 110.899 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -92.91 138.66 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.858 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.48 160.19 26.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 74.31 110.906 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 131.21 20.77 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.729 2.286 . . . . 72.52 112.304 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 p -92.94 -68.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 74.21 110.866 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.7 t -124.59 134.77 52.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 65.44 110.825 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -86.09 94.88 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 75.22 111.122 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -162.32 129.47 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.885 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -61.25 143.44 55.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.35 110.931 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.9 p -128.16 153.27 47.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 73.12 111.183 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -81.91 160.5 63.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 65.12 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 156.48 63.28 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 70.4 112.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.5 tt -126.65 -55.16 1.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 74.15 110.946 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.1 mmm -65.41 155.36 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.33 110.888 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -86.56 98.62 11.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 62.52 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -88.2 157.87 18.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 63.52 110.838 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.2 p -93.2 -35.14 13.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.145 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.65 -138.17 0.85 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 74.53 112.508 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m -62.82 172.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 74.01 110.893 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -112.14 34.62 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.949 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -144.58 132.89 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 70.22 110.846 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 p -150.09 170.4 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 71.11 111.151 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.49 144.04 44.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 73.3 110.876 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -60.11 138.01 57.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.952 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -112.19 156.79 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 71.4 110.939 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 m -112.98 -29.16 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 73.33 111.122 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.4 m -96.72 118.79 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 73.21 110.865 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.22 176.72 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.922 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.3 m -129.01 159.57 35.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.858 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -139.77 156.24 46.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 74.24 110.937 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -56.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 75.55 111.205 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 p -135.01 176.02 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 75.44 111.135 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -40.49 95.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 73.42 110.9 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -51.98 -30.44 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.88 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.66 -37.36 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.935 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -69.25 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.132 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -54.62 -34.77 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 73.2 111.089 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.14 71.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 73.53 111.076 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -76.38 -53.64 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.33 110.957 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -53.76 54.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 73.02 111.167 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.6 t -57.14 -30.63 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.075 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -52.1 -30.26 25.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.52 111.049 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.72 26.41 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 53.36 12.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 75.51 110.911 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -104.87 142.73 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 73.1 111.121 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.7 107.0 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 65.32 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.4 p90 -100.8 136.83 40.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.931 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.52 122.66 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 74.44 111.169 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.07 129.26 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 64.24 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 65.6 tp -105.21 130.47 53.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 74.45 110.911 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -130.11 109.35 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 75.32 110.872 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -91.57 142.32 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 53.12 110.837 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 53.21 69.33 2.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 71.43 110.885 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.97 13.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.285 . . . . 64.11 112.368 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.9 tpt85 -89.66 135.73 33.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 74.43 110.827 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.1 m -88.31 109.39 19.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 75.43 111.147 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.6 pt -67.06 146.58 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 74.13 111.102 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -123.91 133.16 24.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.717 . . . . 71.42 111.124 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.67 125.25 11.97 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.737 2.291 . . . . 64.24 112.331 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 177.68 3.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.899 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -140.62 -179.83 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 64.25 110.9 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -168.81 131.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 73.55 110.907 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.95 -33.5 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 62.23 111.098 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 41.84 39.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.927 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -87.1 159.03 19.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.856 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.76 176.64 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 73.51 110.887 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.3 p -109.3 42.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 73.42 111.17 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.4 tptt 58.58 71.26 1.02 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 74.3 110.915 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 128.14 15.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 64.32 112.336 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -96.41 145.78 25.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 74.44 110.852 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -138.42 146.39 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 63.55 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 29.4 mtm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.848 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.731 0.301 . . . . 63.14 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -93.79 53.02 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 73.01 110.91 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -126.54 116.35 20.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.914 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -91.5 117.47 29.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 74.34 110.894 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 m -113.03 44.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.12 111.112 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -91.69 -53.66 4.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 75.12 110.864 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -111.93 137.15 50.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 71.3 110.88 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 m -59.9 175.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 63.42 111.088 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -136.26 152.73 51.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 75.01 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.98 119.05 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 75.24 111.094 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -97.43 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.804 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -105.04 131.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.111 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -150.22 148.97 29.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 75.05 110.981 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -108.89 89.97 7.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.565 0.697 . . . . 74.42 110.897 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 157.78 59.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.627 2.218 . . . . 75.51 112.268 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.49 156.24 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.116 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -84.29 -38.36 20.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 74.52 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.1 m -150.25 137.19 19.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.777 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 p -133.17 -66.95 0.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 75.04 111.111 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.08 -74.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.85 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -133.39 176.72 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.905 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 m -53.34 124.67 15.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 64.14 110.864 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.45 157.71 18.21 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.778 -0.725 . . . . 65.25 112.469 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -146.3 -179.69 6.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.349 . . . . 73.22 110.839 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m 55.09 35.35 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 64.1 110.901 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.61 96.63 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 73.32 110.938 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.4 mt -93.3 -36.83 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 74.53 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 157.15 23.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 71.41 110.935 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.31 -37.56 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 74.45 111.131 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -102.3 147.1 27.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.884 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -115.34 136.11 53.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.41 110.973 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -125.63 127.97 47.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 74.02 110.934 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -132.13 104.13 6.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 74.45 110.861 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -85.53 138.6 32.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 74.23 110.886 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.91 160.17 75.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 72.42 110.818 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 158.28 57.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 75.43 112.273 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.7 p -119.89 161.39 20.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 74.23 110.879 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.9 m -115.25 146.43 41.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 65.25 110.914 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 p 49.87 36.58 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.145 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -143.56 146.3 33.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 61.13 110.921 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -73.55 170.3 15.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.918 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 p -96.69 11.74 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 73.21 111.172 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -177.3 70.7 0.23 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.679 0.752 . . . . 73.4 110.848 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -18.78 36.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 73.21 112.383 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -148.79 135.26 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 mtp -102.17 96.03 6.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 73.44 110.852 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -107.87 -34.9 6.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.822 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -79.43 86.32 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 74.02 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.1 140.2 58.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 74.23 111.135 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.67 95.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 70.32 112.487 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.8 m -56.66 126.49 26.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 74.44 110.882 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -112.59 176.38 5.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.83 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.96 -179.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.9 p -95.59 44.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.31 111.166 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -117.39 138.08 52.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 75.33 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -88.79 86.19 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 74.5 110.896 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -89.12 134.45 34.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.89 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.05 -28.59 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 75.12 111.058 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 57.4 m -83.75 129.82 34.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 72.42 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 tp -116.98 125.5 51.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.947 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.7 p -92.78 157.9 16.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 75.42 110.821 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 27.7 m-85 -141.89 141.32 33.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 74.03 110.894 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -41.03 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.16 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -136.29 149.15 48.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.153 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -54.32 -41.38 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 75.43 110.877 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -51.53 -31.53 24.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.907 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.32 -37.52 32.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.912 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -63.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 61.55 111.093 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -53.88 -34.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 75.03 111.097 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.76 -22.9 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 73.24 111.137 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -80.07 -48.74 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.987 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -53.36 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 71.11 111.092 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -51.6 -30.23 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.45 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.43 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 75.32 111.066 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -125.94 24.77 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.781 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.67 39.52 25.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 74.23 110.944 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.56 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 72.13 111.107 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -71.12 102.45 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 61.1 110.909 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -100.04 137.37 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 71.3 110.915 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.85 122.05 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.31 111.167 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.0 t -96.5 123.85 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 75.3 111.097 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp -109.35 114.38 28.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.962 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -98.34 150.21 21.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 73.51 110.839 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.43 121.71 41.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 60.38 70.81 0.94 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 75.51 110.818 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -178.84 2.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.636 2.224 . . . . 73.33 112.362 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -162.03 149.23 14.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 72.31 110.847 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -53.04 115.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.2 111.14 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.5 178.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 72.4 111.149 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.9 p -177.35 77.98 0.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 71.0 111.116 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -176.89 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.679 2.253 . . . . 74.13 112.311 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -162.16 125.52 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 73.11 110.954 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.4 t -133.97 -179.8 5.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 62.45 110.895 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -153.81 112.03 3.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.5 110.984 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.7 146.66 30.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 75.52 111.094 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -144.98 148.72 34.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.852 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -100.12 62.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.41 110.816 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -83.66 92.11 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 73.3 110.883 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.95 118.27 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 73.11 111.164 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -119.49 69.41 11.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 75.14 110.872 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 112.95 3.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 73.31 112.301 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 87.77 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.854 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -167.53 159.03 11.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 74.23 110.886 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.9 ttt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 75.22 110.907 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 tpp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.705 0.288 . . . . 75.24 110.815 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -107.01 162.73 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.22 177.51 7.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.894 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -78.95 151.34 31.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 70.21 110.941 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -146.49 134.67 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 71.05 111.143 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -107.11 -44.03 4.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 43.3 110.838 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -78.41 144.03 36.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 75.03 110.935 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -74.47 -175.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 75.1 111.104 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -132.94 144.16 49.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 75.24 110.794 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.21 120.22 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 72.13 111.08 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -99.77 102.59 14.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.901 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.1 mt -103.02 129.74 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.16 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -147.11 149.06 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.4 110.926 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.97 90.39 32.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.543 0.687 . . . . 74.52 110.913 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.74 169.15 19.57 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 74.14 112.376 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.97 154.22 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 75.4 111.148 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -80.31 142.07 34.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 75.14 110.891 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -153.55 151.05 29.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 51.2 110.909 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -129.79 73.82 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 74.44 111.12 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.8 ttt -70.55 -51.19 30.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 74.35 110.81 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -149.04 145.98 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.405 . . . . 75.22 110.951 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -148.64 166.49 28.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 54.51 110.887 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.89 101.56 0.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 74.13 112.443 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.0 t60 61.53 35.32 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 74.32 110.845 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -123.83 158.55 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 74.31 110.844 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -82.21 143.53 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 71.14 110.844 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 mt -88.84 154.23 20.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.894 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.83 143.7 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.4 110.89 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.36 -37.08 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 70.35 111.092 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -110.17 151.54 27.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 73.4 110.938 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.92 143.27 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.33 110.894 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -129.28 131.6 47.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 74.03 110.959 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -138.4 104.43 5.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 74.44 110.849 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -84.42 141.37 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.31 110.864 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -105.52 97.76 15.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 74.52 110.936 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 145.3 56.68 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.711 2.274 . . . . 75.51 112.303 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.7 t -75.19 -47.13 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.4 p -127.65 162.61 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 74.44 110.858 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 t -120.46 155.52 33.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.193 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -156.33 158.95 38.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 62.54 110.917 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -61.15 133.11 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.881 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.1 p -67.1 121.72 16.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 75.4 111.176 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -63.16 160.55 38.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.733 0.777 . . . . 75.33 110.833 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -22.0 32.81 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.7 2.267 . . . . 75.1 112.362 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.7 mp -86.66 106.91 17.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 72.03 110.915 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.0 mtp -131.92 171.1 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.14 110.899 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -64.77 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 73.35 110.943 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -155.07 153.98 31.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 70.33 110.982 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p 46.7 73.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 75.32 111.152 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.5 29.09 0.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 72.45 112.449 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -75.02 -51.57 13.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 75.42 110.815 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -140.55 114.6 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.836 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -163.04 111.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 62.41 110.878 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -60.67 -42.4 96.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 75.43 111.151 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 164.53 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.44 110.896 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -135.29 118.02 16.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 75.42 110.984 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.59 108.0 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.931 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.8 m -114.47 -30.51 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 74.25 111.18 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.5 p -123.03 154.9 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 53.22 110.87 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -148.17 168.82 21.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 73.24 110.885 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.6 p -116.58 167.77 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 53.24 110.848 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -144.04 129.89 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.855 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 m -56.16 -45.56 79.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 74.25 111.101 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.75 146.69 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.25 111.199 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.96 -40.99 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.24 110.885 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -52.72 -31.29 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 73.21 110.857 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.1 tp -75.51 -38.67 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.856 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.52 -64.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 74.32 111.08 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.2 mp -52.41 -34.66 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 72.2 111.118 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.39 -26.07 39.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 74.41 111.072 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 38.0 t80 -77.99 -54.44 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 73.25 110.957 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 61.31 111.148 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -52.45 -30.92 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 75.43 111.126 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -56.65 -25.43 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.125 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -126.63 23.98 6.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.853 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? 51.96 38.67 24.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 70.34 110.843 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.9 mt -88.86 140.24 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 72.42 111.129 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.24 104.8 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.878 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 52.6 p90 -99.93 133.12 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.959 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -112.63 125.3 54.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 74.33 111.099 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.6 m -98.03 123.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 74.42 111.124 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp -109.46 114.42 28.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 74.3 110.952 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -125.81 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 71.22 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -51.96 169.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 74.51 110.905 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -56.08 160.6 4.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.677 0.751 . . . . 74.2 110.899 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.73 45.89 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.686 2.257 . . . . 74.23 112.327 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -82.55 149.48 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.1 p -74.33 106.29 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 72.13 111.092 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.3 pt -78.12 171.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 73.44 111.065 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 m -149.78 69.56 9.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.606 0.717 . . . . 74.32 111.137 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.84 23.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 72.42 112.348 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -126.48 139.76 52.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.896 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.3 m -88.72 151.67 22.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 62.45 110.878 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -165.38 121.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 74.14 110.906 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.01 145.42 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 72.34 111.087 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -114.61 158.92 21.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.937 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -67.73 111.2 4.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.85 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -58.14 160.14 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 75.4 110.917 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.6 p -134.26 131.86 38.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 75.31 111.126 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -51.64 156.99 2.02 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.531 0.682 . . . . 73.52 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -178.53 2.41 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 72.11 112.341 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -61.3 132.19 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 75.21 110.839 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.58 60.93 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.913 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 73.5 110.88 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.849 0.357 . . . . 72.33 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.93 135.23 45.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 64.04 111.103 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -112.04 104.85 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 75.15 110.878 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.596 HG12 HD23 ' A' ' 32' ' ' LEU . 77.2 mt -105.21 135.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.13 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.1 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.88 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.8 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.884 0.373 . . . . 72.53 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -119.83 146.23 45.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD23 HG12 ' A' ' 12' ' ' ILE . 3.4 tm? -134.73 136.66 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.918 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.546 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -148.36 106.63 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.909 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -97.13 140.76 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.641 0.734 . . . . 73.12 110.873 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.799 0.333 . . . . 75.2 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 119.03 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 52.43 110.828 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.455 ' HD1' HD23 ' A' ' 67' ' ' LEU . 81.3 m-85 -111.81 164.04 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 53.54 110.869 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 m -100.16 -43.96 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 61.53 111.118 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.43 139.78 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 72.13 111.13 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.67 -38.14 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 74.55 110.89 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 36.2 mt-10 -52.64 -32.25 41.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.879 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.455 HD23 ' HD1' ' A' ' 62' ' ' PHE . 5.5 tp -79.9 -37.36 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.93 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.97 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 65.43 111.137 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.1 mp -51.74 -34.36 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.142 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -54.0 -36.42 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.055 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -63.56 -54.9 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 64.52 110.949 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.89 -53.64 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 61.1 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 69' ' ' ILE . 99.3 t -51.44 -30.84 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 43.11 111.129 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.0 -34.42 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.55 111.059 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -126.63 24.51 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt 51.94 40.16 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.7 mt -83.18 140.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 63.15 111.142 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.29 102.88 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.897 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -100.51 134.84 42.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 70.14 110.894 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -110.15 136.91 48.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 62.15 111.158 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.6 m -100.57 122.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.2 111.159 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 51.23 110.872 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.853 0.359 . . . . 54.3 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.837 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -104.75 129.14 53.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 51.52 111.08 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -109.02 102.89 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 71.34 110.85 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.648 ' CG1' HD23 ' A' ' 32' ' ' LEU . 45.4 mt -93.6 140.0 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.159 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.894 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.5 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 71.44 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.2 131.98 56.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 71.13 110.9 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.837 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.4 tm? -136.35 123.15 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.011 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -125.89 113.04 16.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.35 110.888 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -105.48 140.06 39.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.917 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 71.34 110.843 -179.865 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 62' ' ' PHE . 1.3 pp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.763 0.316 . . . . 64.42 110.927 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.403 ' N ' HD12 ' A' ' 60' ' ' LEU . 14.8 m -117.13 135.1 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 70.5 110.797 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.736 ' CE2' HD11 ' A' ' 60' ' ' LEU . 9.3 m-85 -111.64 158.14 19.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 74.13 110.835 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -49.11 65.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 71.31 111.107 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.02 161.86 31.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 61.25 111.166 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.726 ' O ' HD12 ' A' ' 69' ' ' ILE . 2.3 ptt180 -57.21 -47.39 81.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.868 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.95 -32.53 33.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.04 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.722 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -62.53 -39.1 92.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 51.33 110.903 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -58.1 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.726 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.3 mp -55.47 -34.2 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 63.12 111.163 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.88 67.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 40.11 111.118 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -78.14 -47.56 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.12 110.917 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -66.81 -56.74 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.52 111.091 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 69' ' ' ILE . 92.6 t -51.86 -33.95 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 61.01 111.105 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -31.84 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 44.42 111.073 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -116.5 22.85 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt 51.75 50.29 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.439 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 62.2 mt -103.41 139.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 74.52 111.14 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.32 102.17 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.88 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.549 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 54.8 p90 -99.97 131.32 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.91 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -114.27 124.93 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 72.53 111.154 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.08 122.35 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.046 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.906 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.337 . . . . 72.34 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.71 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -108.75 124.58 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 54.44 111.138 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -99.56 102.81 14.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.876 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.682 HG12 HD23 ' A' ' 32' ' ' LEU . 55.2 mt -95.89 139.24 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 75.41 111.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 64.42 110.953 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.1 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.853 0.359 . . . . 73.53 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -118.51 149.79 40.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.71 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.4 tm? -148.19 130.18 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.955 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -130.67 106.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 71.4 110.932 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -90.25 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 71.22 110.891 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 74.53 110.887 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.773 0.32 . . . . 72.54 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.1 p -94.29 149.02 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.864 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -135.41 156.12 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.863 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -52.22 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 62.14 111.149 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.4 p -144.21 176.27 9.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 71.13 111.135 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -65.87 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.826 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -49.77 -48.88 50.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -42.63 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.884 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -54.37 -49.89 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.1 111.077 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.7 mp -75.34 -34.91 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.123 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.16 -25.84 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 70.05 111.117 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 10.8 t80 -81.46 -53.13 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.977 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.69 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 72.12 111.094 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 69' ' ' ILE . 87.9 t -62.83 -31.22 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 74.43 111.14 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.58 -30.1 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.51 111.083 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.01 24.74 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 54.21 110.832 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.16 51.59 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 65.23 110.854 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.2 mt -104.16 138.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.43 111.071 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.47 105.36 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 71.01 110.876 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' ' 69' ' ' ILE . 38.8 p90 -100.14 140.98 33.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.893 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.8 t -123.97 122.9 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 71.11 111.153 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.1 123.99 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.861 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.911 0.386 . . . . 73.41 110.821 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.36 125.17 48.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.43 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -104.49 102.65 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 71.2 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 32' ' ' LEU . 43.6 mt -98.6 135.76 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 74.42 111.117 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.59 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 2.4 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 52.14 110.951 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.9 m95 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.847 0.356 . . . . 64.32 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -108.41 147.22 31.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.905 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 33' ' ' GLU . 3.4 tm? -144.01 139.59 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.931 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.654 ' N ' HD13 ' A' ' 32' ' ' LEU . 13.0 tm-20 -151.62 109.02 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 52.34 110.876 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -88.71 137.84 31.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.871 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.605 0.717 . . . . 64.31 110.901 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.872 0.368 . . . . 53.21 110.944 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -143.16 130.68 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.898 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -116.78 160.91 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.2 m -79.36 -56.33 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.45 111.123 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p -117.79 152.57 35.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 62.11 111.116 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.643 ' O ' HD12 ' A' ' 69' ' ' ILE . 3.1 ptp85 -51.78 -47.97 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.77 -30.41 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 75.04 110.907 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.87 -41.83 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 50.35 110.861 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -62.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 75.35 111.084 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.0 mp -53.69 -34.52 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.17 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.16 -24.74 60.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 71.22 111.053 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 7.5 t80 -79.12 -60.27 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 74.32 110.882 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.0 -51.84 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 61.53 111.122 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 69' ' ' ILE . 83.6 t -56.06 -32.3 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.51 111.181 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.33 -30.06 26.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 51.41 111.041 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -123.25 24.52 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 73.31 110.806 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.84 53.26 12.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 45.02 110.9 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -105.99 143.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 63.34 111.102 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.3 108.73 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.879 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CE2' HG23 ' A' ' 69' ' ' ILE . 49.7 p90 -104.07 136.18 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.911 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 80' ' ' THR . 5.5 t -126.29 121.67 33.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 61.33 111.133 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.3 m -95.62 126.89 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.5 111.107 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 13' ' ' TYR . 2.2 tp . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 70.14 110.892 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.76 0.314 . . . . 73.15 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.898 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -107.0 127.0 53.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 52.22 111.05 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -105.72 103.77 13.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.614 ' CG1' HD23 ' A' ' 32' ' ' LEU . 81.4 mt -94.64 126.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.25 111.177 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.924 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.7 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.785 0.326 . . . . 74.31 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -112.48 148.43 34.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.873 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.898 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -150.0 128.68 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.912 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.495 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -132.33 114.98 15.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.33 110.877 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.26 141.26 32.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 54.11 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.682 0.753 . . . . 52.15 110.823 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.841 0.353 . . . . 74.14 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.4 127.38 45.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.14 158.68 18.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.828 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.492 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -84.14 -47.86 10.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 61.45 111.176 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.41 160.57 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 71.1 111.195 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 69' ' ' ILE . 4.8 ttt180 -54.55 -56.02 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 74.42 110.862 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.95 -36.55 49.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.872 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 63' ' ' THR . 4.0 tp -57.0 -42.78 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 51.01 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.75 -64.43 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 64.43 111.16 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.3 mp -52.3 -35.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 62.13 111.097 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.0 -27.07 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 50.6 t80 -79.11 -53.5 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.51 110.925 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -58.23 -54.98 40.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 63.41 111.061 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.94 -33.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.31 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.71 -30.08 20.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 61.44 111.077 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -126.84 25.0 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 70.1 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt 51.89 47.03 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 50.13 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.434 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 44.9 mt -93.34 140.7 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 72.12 111.104 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.12 101.25 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.04 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 69' ' ' ILE . 52.5 p90 -99.69 130.17 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.954 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -113.53 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 50.12 111.13 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.71 122.13 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 51.51 111.148 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 53.24 110.888 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.769 0.318 . . . . 73.54 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -103.1 131.64 49.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.127 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -109.45 102.97 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.644 ' CG1' HD23 ' A' ' 32' ' ' LEU . 51.2 mt -96.42 135.66 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.177 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.8 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.876 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.4 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.848 0.356 . . . . 75.43 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -119.2 151.6 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.1 tm? -151.17 131.25 13.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.436 ' H ' HD22 ' A' ' 32' ' ' LEU . 4.0 tp10 -134.0 109.88 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.892 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -90.07 141.33 28.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 71.31 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.714 0.769 . . . . 73.31 110.823 -179.903 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.887 0.375 . . . . 73.12 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.05 133.06 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.914 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.671 ' CD1' HD12 ' A' ' 67' ' ' LEU . 48.9 m-85 -121.0 156.31 32.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 64.12 110.903 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -78.24 -49.84 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.52 111.126 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 172.68 7.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 71.14 111.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 69' ' ' ILE . 6.1 ttt180 -71.59 -49.39 40.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 71.53 110.847 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -52.37 -29.46 24.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.89 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD12 ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -60.19 -43.69 95.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.912 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.61 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -63.33 -50.36 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.52 111.077 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.8 mp -64.51 -32.9 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 75.25 111.163 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -24.94 67.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 52.31 111.095 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.96 -49.13 11.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 73.32 110.934 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -54.69 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.51 111.105 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.3 t -51.99 -33.02 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 74.23 111.125 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.94 20.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 75.11 111.113 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -122.64 24.62 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.881 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp 51.99 43.83 30.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.897 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.7 mt -94.84 140.83 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 64.43 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.25 107.31 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.901 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.55 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.6 p90 -100.64 137.23 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.92 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -117.45 139.12 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.22 111.16 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.6 m -97.62 120.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 42.13 111.137 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.927 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 73.43 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.73 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.02 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 54.32 111.159 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -95.92 102.82 14.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.859 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.587 HG12 HD23 ' A' ' 32' ' ' LEU . 61.9 mt -104.23 132.78 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 71.42 111.135 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.7 p90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 75.42 110.91 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.8 m95 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.845 0.355 . . . . 74.44 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.06 134.22 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.73 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.6 tm? -125.52 124.61 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 65.02 110.935 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.49 ' N ' HD22 ' A' ' 32' ' ' LEU . 6.6 tp10 -130.11 103.38 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 71.44 110.876 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -86.05 141.18 29.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 72.0 110.873 -179.865 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.853 0.359 . . . . 71.04 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -126.47 122.17 34.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.33 143.28 46.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.868 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.9 m -68.31 -50.33 54.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.146 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.2 162.39 16.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 75.42 111.094 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.701 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.2 ptt180 -66.66 -47.08 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.872 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -51.77 -30.49 23.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 52.42 110.858 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.84 -39.07 80.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 72.1 110.929 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.3 -61.55 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.119 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.5 mp -53.69 -34.06 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.109 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.87 -24.03 55.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 74.24 111.15 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.86 -45.24 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.24 110.943 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.21 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 52.02 111.097 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 69' ' ' ILE . 98.9 t -51.61 -30.23 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.21 111.125 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.99 -28.57 38.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 75.05 111.194 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -126.75 24.93 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.83 44.8 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 64.13 110.92 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.0 mt -92.34 141.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 54.42 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.22 102.13 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 62.45 110.837 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG23 ' A' ' 69' ' ' ILE . 54.0 p90 -99.97 133.82 43.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 70.33 110.917 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -116.95 121.53 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 74.5 111.116 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.3 m -95.73 124.61 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.131 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.901 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.856 0.36 . . . . 74.52 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.777 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -117.26 151.82 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 44.41 111.058 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.96 103.11 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.908 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.526 HD12 ' HD2' ' A' ' 79' ' ' TYR . 70.9 mt -102.55 119.14 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 65.12 111.096 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.939 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.1 m95 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.876 0.37 . . . . 72.33 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -123.53 130.91 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 63.02 110.881 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.799 HD11 ' CD2' ' A' ' 34' ' ' PHE . 1.7 tm? -124.0 122.6 38.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.96 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.603 ' N ' HD22 ' A' ' 32' ' ' LEU . 2.2 tm-20 -121.74 101.8 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 64.52 110.885 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.799 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.8 m-85 -82.03 147.27 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.897 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 73.2 110.934 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.862 0.363 . . . . 74.23 110.878 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p -112.01 146.2 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 43.54 110.823 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -117.74 173.56 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 54.1 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.29 -38.1 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 62.22 111.14 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -136.78 151.71 49.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.102 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 69' ' ' ILE . 5.4 ptp180 -56.07 -40.55 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.14 110.863 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 56.1 mt-10 -51.38 -30.59 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.807 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.36 -34.6 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 62.45 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.42 -59.4 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 75.31 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.64 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 4.4 mp -59.04 -34.62 53.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.15 111.159 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -57.09 -31.49 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 50.21 111.081 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -69.98 -57.29 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 65.43 110.949 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.7 -53.2 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 63.31 111.133 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 69' ' ' ILE . 91.4 t -53.33 -32.16 19.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 71.1 111.081 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -53.2 -35.31 59.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 70.1 111.149 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.69 17.71 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.864 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.26 47.4 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.914 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.538 HD13 ' CE1' ' A' ' 34' ' ' PHE . 30.1 mt -92.84 142.11 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.34 111.083 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.11 97.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.829 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.64 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 44.5 p90 -101.85 139.13 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.915 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -110.69 138.1 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 45.3 111.093 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.7 t -104.6 114.17 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.182 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.777 0.322 . . . . 72.24 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -105.43 119.93 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 64.53 111.052 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -99.64 103.15 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.587 ' CG1' HD23 ' A' ' 32' ' ' LEU . 54.7 mt -95.83 139.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.13 111.121 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 62.15 110.862 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.1 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.9 0.381 . . . . 70.35 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -126.32 152.27 46.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 54.42 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.4 tm? -143.58 134.71 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.982 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.482 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.1 tp10 -133.81 104.16 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 71.34 110.91 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -86.33 138.38 31.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 73.15 110.895 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.593 0.711 . . . . 70.12 110.908 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 62' ' ' PHE . 1.4 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.817 0.342 . . . . 73.45 110.947 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.537 ' N ' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -126.95 140.64 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.828 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 60' ' ' LEU . 36.5 m-85 -109.97 158.42 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 74.11 110.845 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -44.84 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 73.42 111.206 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -123.65 154.15 39.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 74.42 111.155 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 69' ' ' ILE . 10.5 ttt180 -53.42 -53.46 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 73.01 110.89 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -53.2 -28.65 27.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 64.43 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.59 -33.82 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 62.2 110.914 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -73.88 -49.85 23.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 65.01 111.109 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 65' ' ' ARG . 5.0 mp -66.91 -32.77 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 61.41 111.126 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.56 -25.31 67.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.109 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 28.4 t80 -79.34 -50.73 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.992 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.37 -56.15 18.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.15 111.088 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 69' ' ' ILE . 93.0 t -51.86 -31.01 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.13 111.152 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.1 -30.67 27.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 43.24 111.121 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -124.23 25.23 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.851 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp 51.97 55.29 9.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 53.45 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -106.62 142.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 63.05 111.109 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -71.29 104.15 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.895 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.0 p90 -100.57 135.93 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.941 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -121.27 121.59 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 71.22 111.177 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 81' ' ' VAL . 18.5 m -88.53 122.07 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.094 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 71.31 110.896 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.844 0.354 . . . . 75.14 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.05 128.9 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 42.35 111.103 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 102.93 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.882 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.479 HG12 HD23 ' A' ' 32' ' ' LEU . 60.6 mt -106.21 117.44 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.1 111.102 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.0 p90 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 63.03 110.92 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.0 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.854 0.359 . . . . 75.05 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -120.41 117.03 26.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.701 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.1 tm? -103.2 131.51 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.884 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.459 ' H ' HD22 ' A' ' 32' ' ' LEU . 2.9 mm-40 -138.78 104.09 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.926 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -85.22 138.56 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.875 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 75.32 110.936 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.862 0.363 . . . . 72.32 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.56 141.24 39.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.889 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -131.89 143.84 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.18 -48.79 49.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 75.02 111.198 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.65 177.54 4.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 64.43 111.171 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -77.16 -48.26 18.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 61.44 110.892 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.1 tp10 -50.1 -30.18 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 60.44 110.944 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 tp -79.24 -38.05 36.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.03 110.893 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.8 -64.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.067 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.0 mp -51.23 -31.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 64.21 111.103 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -51.18 -47.38 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.118 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 80.3 t80 -51.87 -50.7 60.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 77' ' ' ILE . . . -63.55 -55.55 23.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 61.15 111.1 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 69' ' ' ILE . 99.1 t -51.45 -30.7 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.31 111.109 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.14 -35.83 49.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 62.44 111.059 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -126.47 25.83 6.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.907 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.62 45.4 28.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.912 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.423 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 53.4 mt -91.09 141.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -71.3 107.43 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 51.5 110.883 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE1' HG23 ' A' ' 69' ' ' ILE . 53.3 p90 -101.61 130.03 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 60.42 110.979 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 t -105.89 133.89 49.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 70.22 111.116 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.2 m -105.83 110.98 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.136 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.918 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.903 0.383 . . . . 73.22 110.808 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.06 125.96 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.31 111.107 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -108.03 102.91 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.852 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.663 HG12 HD23 ' A' ' 32' ' ' LEU . 46.6 mt -94.81 141.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 61.34 111.09 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.944 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 22.0 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 74.21 110.918 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -111.14 139.29 46.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.868 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 12' ' ' ILE . 3.2 tm? -135.8 129.81 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.921 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.494 ' N ' HD13 ' A' ' 32' ' ' LEU . 19.4 mm-40 -127.76 103.36 7.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.811 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -100.14 133.26 44.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.888 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.671 0.748 . . . . 75.24 110.913 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.582 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.7 tp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.348 . . . . 64.22 110.949 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -97.48 153.36 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 62.5 110.865 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 22.3 m-85 -137.47 157.79 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 71.12 110.913 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -54.06 39.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 51.23 111.166 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.8 p -137.98 166.94 22.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.138 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.737 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.9 OUTLIER -53.38 -41.68 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.878 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.71 -35.44 42.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 42.52 110.883 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.461 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -67.48 -38.61 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.44 110.973 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.597 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -66.37 -60.71 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 71.15 111.1 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -55.36 -35.8 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.128 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.87 -24.48 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 63.43 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -79.73 -46.54 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.877 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.68 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 69' ' ' ILE . 97.4 t -52.11 -32.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 64.41 111.131 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.91 -30.11 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 42.23 111.013 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -122.33 24.61 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 73.43 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 51.93 55.58 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.78 143.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 73.52 111.111 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.37 104.51 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.879 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 52.2 p90 -100.36 130.92 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.003 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 t -113.8 124.96 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.4 111.189 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.62 114.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 60.31 111.091 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.876 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.891 0.377 . . . . 73.53 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.699 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.83 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.1 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -98.34 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.883 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.635 HG12 HD23 ' A' ' 32' ' ' LEU . 62.9 mt -102.91 137.81 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 61.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.932 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.0 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 73.25 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -111.35 142.87 43.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.93 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.699 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -135.34 127.22 29.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 50.41 110.883 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.477 ' N ' HD22 ' A' ' 32' ' ' LEU . 7.1 tp10 -132.08 107.43 8.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.868 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -85.45 138.98 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.41 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 62.03 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.785 0.326 . . . . 72.1 110.931 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 t -126.95 134.74 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.811 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -132.12 130.18 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 74.54 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -59.47 -48.16 82.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 53.5 111.16 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.81 148.85 39.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 75.14 111.144 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.728 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -58.53 -42.89 88.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.91 -30.23 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 70.13 110.923 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 tp -70.92 -38.87 72.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 55.3 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.4 -62.02 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 41.34 111.133 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.3 mp -53.16 -34.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 74.32 111.143 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.05 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 53.2 111.051 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.482 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.2 t80 -79.66 -55.97 4.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.406 . . . . 73.45 110.884 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.63 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 73.22 111.104 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.8 t -51.98 -33.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.119 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -54.46 -26.66 32.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 62.32 111.211 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -126.47 26.46 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.866 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.04 32.05 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.897 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.3 mt -80.66 139.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 73.34 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -71.94 105.95 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 70.51 110.893 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.526 ' CE2' HG23 ' A' ' 69' ' ' ILE . 50.7 p90 -100.87 137.89 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.15 110.953 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.62 120.87 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.34 111.149 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.83 118.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 64.23 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.915 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.844 0.354 . . . . 75.42 110.828 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -104.55 127.05 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.109 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -105.89 103.68 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.866 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.651 HG12 HD23 ' A' ' 32' ' ' LEU . 46.1 mt -99.27 134.75 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.52 111.115 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.87 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.5 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.812 0.339 . . . . 63.42 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 140.36 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.651 HD23 HG12 ' A' ' 12' ' ' ILE . 3.3 tm? -135.46 129.13 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.25 110.9 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' N ' HD13 ' A' ' 32' ' ' LEU . 48.2 tt0 -131.87 109.84 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.2 110.914 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -91.93 136.59 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.81 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.692 0.758 . . . . 71.31 110.902 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tp . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.78 0.324 . . . . 75.51 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.0 m -95.63 165.63 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 64.02 110.853 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 35.4 m-85 -148.06 141.13 24.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 75.13 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -46.74 78.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.23 111.174 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -135.11 150.1 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.143 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -52.31 -38.01 57.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.888 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 77.7 mm-40 -53.41 -31.42 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 74.54 110.939 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.441 HD23 ' HD1' ' A' ' 62' ' ' PHE . 7.1 tp -77.72 -38.28 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 73.3 110.905 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.12 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.132 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.1 mp -51.79 -34.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.24 111.096 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -59.29 -33.21 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.4 111.118 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.468 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 9.7 t80 -75.41 -52.5 10.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 75.15 110.901 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.85 -51.19 70.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 42.51 111.109 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 69' ' ' ILE . 98.1 t -58.15 -31.97 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.137 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.68 -29.96 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.32 111.125 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -121.39 25.53 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.86 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt 51.94 33.13 11.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 64.5 110.887 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.9 mt -82.73 137.18 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 65.24 111.128 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.49 106.99 4.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 61.41 110.876 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 69' ' ' ILE . 45.2 p90 -100.44 138.35 37.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.11 110.93 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -115.2 132.68 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 54.43 111.139 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.1 m -98.26 119.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 72.4 111.115 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.903 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 71.42 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.39 129.13 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 73.54 111.109 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -108.01 104.21 13.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 53.23 110.943 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.548 HG12 HD23 ' A' ' 32' ' ' LEU . 34.5 mt -97.69 121.95 48.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 65.14 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.877 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.0 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 74.32 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -108.28 144.74 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 52.31 110.93 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.562 HD13 ' N ' ' A' ' 33' ' ' GLU . 2.2 tm? -139.53 127.74 22.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 54.34 110.929 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.562 ' N ' HD13 ' A' ' 32' ' ' LEU . 7.1 tp10 -131.37 106.64 8.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 53.51 110.896 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -92.74 137.36 32.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.24 110.904 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.645 0.736 . . . . 74.34 110.902 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.645 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.9 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.849 0.357 . . . . 63.11 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 p -99.14 161.99 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 65.14 110.818 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.645 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 32.2 m-85 -145.18 162.31 37.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 75.24 110.85 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -46.93 16.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 74.15 111.199 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -134.39 161.36 35.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 64.12 111.084 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.703 ' O ' HD12 ' A' ' 69' ' ' ILE . 8.3 ptp180 -59.51 -39.43 83.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.853 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -51.68 -31.6 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.51 110.872 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.82 -38.05 62.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.934 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 51.31 111.08 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mp -51.97 -34.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.155 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.48 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 62.15 111.131 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 5.0 t80 -67.83 -50.23 57.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.892 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.41 11.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 63.23 111.127 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.9 t -51.66 -29.99 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 70.04 111.135 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.71 -29.92 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 70.14 111.159 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -124.79 26.03 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.867 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 51.8 45.67 27.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.53 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.5 mt -95.5 140.97 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.05 111.13 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.36 104.5 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 61.23 110.808 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.499 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 49.4 p90 -100.1 136.36 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 64.01 111.002 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.5 t -115.79 123.73 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 61.02 111.131 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.3 m -96.66 119.29 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 62.13 111.126 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 55.03 110.867 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.817 0.341 . . . . 62.41 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.26 130.18 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 53.34 111.126 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.5 mtm-85 -112.32 103.95 12.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 52.23 110.846 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.625 HG12 HD23 ' A' ' 32' ' ' LEU . 53.4 mt -100.96 134.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.52 111.185 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 43.03 110.868 -179.892 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 58.1 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 62.13 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -126.11 122.39 35.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.93 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 12' ' ' ILE . 3.3 tm? -116.92 131.77 56.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.919 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 32' ' ' LEU . 46.2 tt0 -140.31 113.91 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.864 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -94.21 148.74 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 63.31 110.853 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.763 HD11 ' CE2' ' A' ' 62' ' ' PHE . 2.2 pp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.332 . . . . 54.24 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.515 ' N ' HD12 ' A' ' 60' ' ' LEU . 29.4 m -127.46 147.81 50.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.859 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.763 ' CE2' HD11 ' A' ' 60' ' ' LEU . 18.0 m-85 -123.33 165.85 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.902 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -82.73 -46.7 12.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.479 . . . . 60.53 111.142 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 p -133.74 159.04 41.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 74.13 111.155 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -58.11 -41.18 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 64.33 110.882 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 2.5 mt-10 -51.58 -30.45 20.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.916 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -78.53 -39.64 37.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.908 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 65.41 111.102 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mp -51.52 -34.86 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 70.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -52.82 -41.31 64.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 51.33 111.149 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.517 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 17.1 t80 -65.7 -53.54 39.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.54 110.934 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.22 -55.58 31.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 64.41 111.046 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 69' ' ' ILE . 91.6 t -52.34 -32.19 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 75.34 111.146 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.86 -33.47 36.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.22 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -123.48 24.72 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 74.44 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 51.92 34.5 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.881 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -79.46 140.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 74.44 111.142 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.08 104.09 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CE2' HG23 ' A' ' 69' ' ' ILE . 50.4 p90 -100.21 133.22 44.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.913 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.8 t -108.7 131.57 54.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 63.24 111.167 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 81' ' ' VAL . 17.3 m -94.82 121.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 72.15 111.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.964 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.802 0.334 . . . . 73.34 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.812 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -117.32 156.75 27.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 52.22 111.091 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -121.74 102.74 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.874 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.625 HD12 ' CD2' ' A' ' 79' ' ' TYR . 86.6 mt -97.54 125.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 70.03 111.086 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CE2' HD22 ' A' ' 82' ' ' LEU . 24.8 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 70.01 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.0 m95 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.331 . . . . 75.24 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -120.56 145.27 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.911 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 34' ' ' PHE . 2.0 tm? -137.71 127.52 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.924 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.601 ' N ' HD22 ' A' ' 32' ' ' LEU . 40.4 mm-40 -130.49 101.46 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.15 110.95 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.824 ' CD2' HD11 ' A' ' 32' ' ' LEU . 5.4 m-85 -84.65 144.65 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 74.23 110.868 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 73.13 110.84 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.79 0.329 . . . . 75.33 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 p -100.2 158.72 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.85 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 46.9 m-85 -137.95 164.7 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 71.1 110.911 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -50.36 7.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 61.34 111.207 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -130.15 159.81 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 71.44 111.124 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 69' ' ' ILE . 12.0 ptm180 -58.24 -39.28 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.86 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 27.6 mt-10 -52.44 -30.03 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.877 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.439 HD23 ' HD1' ' A' ' 62' ' ' PHE . 4.5 tp -82.65 -37.04 25.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.55 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 111.125 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.586 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 4.5 mp -52.43 -34.13 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -56.06 -31.39 63.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 65.41 111.15 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.51 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -73.35 -53.09 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.928 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.03 -55.14 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 73.52 111.098 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -54.26 -27.99 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.21 111.144 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.04 -34.67 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 61.25 111.097 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -126.94 27.5 5.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 75.11 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 51.84 40.6 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.465 HG21 ' HE1' ' A' ' 34' ' ' PHE . 59.5 mt -83.59 137.34 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 55.54 111.144 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.24 97.95 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.943 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.625 ' CD2' HD12 ' A' ' 12' ' ' ILE . 54.8 p90 -99.87 139.13 35.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.888 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -104.21 130.93 51.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 74.35 111.123 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.11 116.22 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 53.43 111.175 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.486 HD22 ' CE2' ' A' ' 13' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 64.13 110.85 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.857 0.361 . . . . 73.42 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -103.57 118.99 38.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 64.35 111.106 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.6 ttm-85 -97.2 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 45.35 110.891 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.66 HG12 HD23 ' A' ' 32' ' ' LEU . 61.2 mt -105.46 136.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 64.22 111.067 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.936 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.9 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.761 0.315 . . . . 74.03 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -113.01 139.96 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 72.21 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.66 HD23 HG12 ' A' ' 12' ' ' ILE . 2.5 tm? -135.25 124.93 25.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 72.3 110.891 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.51 ' N ' HD22 ' A' ' 32' ' ' LEU . 24.8 mt-10 -128.87 104.61 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.848 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -89.43 138.21 31.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 62.21 110.855 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 63.41 110.927 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 64.21 110.944 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 132.04 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.886 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.64 ' CE1' HD12 ' A' ' 67' ' ' LEU . 22.8 m-85 -105.49 147.93 27.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 m -60.7 -52.39 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.086 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.45 173.09 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 70.12 111.127 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.4 tmm_? -70.74 -50.54 35.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.842 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -51.91 -33.0 35.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 74.51 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.64 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -55.58 -45.42 77.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 70.53 110.874 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -59.04 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 111.125 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mp -52.94 -40.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 61.33 111.128 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.29 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.13 111.088 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.457 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.4 t80 -80.74 -53.44 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.918 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -60.66 -55.02 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 52.12 111.118 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.64 -31.32 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 61.54 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.78 -30.71 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 51.12 111.093 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -126.93 25.25 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.827 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 51.8 58.7 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.881 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.476 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 70.3 mt -106.9 143.38 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.156 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.29 100.41 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.84 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 53.1 p90 -99.97 130.95 46.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 65.01 110.935 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -113.1 120.9 42.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.169 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.9 m -94.08 119.93 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 70.03 111.158 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 63.41 110.94 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.805 0.336 . . . . 75.05 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.47 135.38 44.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.11 111.109 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -109.66 103.09 11.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.847 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.691 HG12 HD23 ' A' ' 32' ' ' LEU . 61.6 mt -101.97 139.61 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.183 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CD1' HD23 ' A' ' 82' ' ' LEU . 9.2 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.938 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 25.2 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.794 0.33 . . . . 75.12 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -110.97 140.93 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD23 HG12 ' A' ' 12' ' ' ILE . 3.4 tm? -139.88 128.61 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.87 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.58 107.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 61.32 110.899 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -92.91 138.66 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.858 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 74.31 110.906 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.825 0.345 . . . . 74.24 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.3 m -129.01 159.57 35.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.858 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 67' ' ' LEU . 10.8 m-85 -139.77 156.24 46.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 71.05 110.937 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -56.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 75.55 111.205 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 p -135.01 176.02 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 75.44 111.135 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.729 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -64.51 -40.49 95.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 62.41 110.9 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -51.98 -30.44 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.88 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.51 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -71.66 -37.36 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.935 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.551 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -69.25 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.132 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -54.62 -34.77 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.51 111.089 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.14 71.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.13 111.076 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 13.0 t80 -76.38 -53.64 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.33 110.957 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -53.76 54.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 73.02 111.167 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 69' ' ' ILE . 89.6 t -57.14 -30.63 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.075 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.1 -30.26 25.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.52 111.049 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.72 26.41 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 53.36 12.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 65.33 110.911 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -104.87 142.73 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 71.55 111.121 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.7 107.0 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 65.32 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 52.4 p90 -100.8 136.83 40.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.931 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.52 122.66 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 74.24 111.169 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.07 129.26 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 61.14 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 13' ' ' TYR . 65.6 tp . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 74.45 110.911 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 74.31 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -101.98 119.05 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.51 111.094 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -97.43 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.804 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.588 HG12 HD23 ' A' ' 32' ' ' LEU . 61.3 mt -105.04 131.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.111 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 73.41 110.981 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.1 m95 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.919 0.39 . . . . 74.1 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -115.34 136.11 53.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 64.43 110.973 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -125.63 127.97 47.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 74.02 110.934 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.484 ' N ' HD22 ' A' ' 32' ' ' LEU . 5.5 tp10 -132.13 104.13 6.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.861 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -85.53 138.6 32.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.886 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 72.42 110.818 -179.907 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.559 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.5 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.813 0.34 . . . . 74.31 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.7 p -92.78 157.9 16.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.821 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 27.7 m-85 -141.89 141.32 33.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 74.03 110.894 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -41.03 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.16 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -136.29 149.15 48.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.153 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.697 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -54.32 -41.38 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 55.23 110.877 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 11.8 pt-20 -51.53 -31.53 24.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.907 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.32 -37.52 32.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.912 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -63.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 42.03 111.093 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -53.88 -34.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 72.45 111.097 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -58.76 -22.9 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 73.24 111.137 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -80.07 -48.74 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.987 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -53.36 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 71.11 111.092 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -51.6 -30.23 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.45 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.43 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 72.4 111.066 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -125.94 24.77 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.781 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.67 39.52 25.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 74.23 110.944 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.56 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 53.2 111.107 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -71.12 102.45 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 61.1 110.909 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' A' ' 69' ' ' ILE . 49.7 p90 -100.04 137.37 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 61.45 110.915 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.85 122.05 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.31 111.167 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.0 t -96.5 123.85 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 71.33 111.097 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.962 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.814 0.34 . . . . 74.11 110.794 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.21 120.22 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 55.33 111.08 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -99.77 102.59 14.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 70.11 110.901 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.574 HG12 HD23 ' A' ' 32' ' ' LEU . 57.1 mt -103.02 129.74 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 54.24 111.16 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.926 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.4 m95 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.817 0.341 . . . . 70.51 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.92 143.27 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.33 110.894 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.775 HD12 HD21 ' A' ' 60' ' ' LEU . 3.0 tm? -129.28 131.6 47.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 74.03 110.959 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.484 ' H ' HD22 ' A' ' 32' ' ' LEU . 4.8 tp10 -138.4 104.43 5.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 62.5 110.849 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -84.42 141.37 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.864 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 64.01 110.936 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.775 HD21 HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 62.33 110.885 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.6 p -116.58 167.77 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 53.24 110.848 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.458 ' CZ ' HD11 ' A' ' 60' ' ' LEU . 34.7 m-85 -144.04 129.89 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 m -56.16 -45.56 79.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 74.25 111.101 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.75 146.69 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.25 111.199 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -52.96 -40.99 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.885 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.5 mm-40 -52.72 -31.29 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 60.14 110.857 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD23 ' HD1' ' A' ' 62' ' ' PHE . 7.1 tp -75.51 -38.67 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.856 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.52 -64.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 54.44 111.08 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -52.41 -34.66 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 43.11 111.118 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -55.39 -26.07 39.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.12 111.072 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.473 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 38.0 t80 -77.99 -54.44 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 64.25 110.957 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 61.31 111.148 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -52.45 -30.92 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.126 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -56.65 -25.43 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.125 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -126.63 23.98 6.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 61.53 110.853 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? 51.96 38.67 24.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 54.31 110.843 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.9 mt -88.86 140.24 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 71.31 111.129 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.24 104.8 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.878 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.459 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.6 p90 -99.93 133.12 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.959 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -112.63 125.3 54.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 63.32 111.099 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.6 m -98.03 123.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 72.24 111.124 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.952 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ptt? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.713 0.292 . . . . 63.13 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -102.81 -176.42 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -130.1 135.01 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -85.94 132.72 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 70.52 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.2 t -127.09 138.94 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 73.43 111.137 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -104.08 70.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 73.13 110.854 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -149.76 157.34 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 62.24 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.34 168.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 70.01 111.128 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -137.29 150.29 47.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.873 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.93 135.23 45.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 64.04 111.103 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -112.04 104.85 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 75.15 110.878 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.596 HG12 HD23 ' A' ' 32' ' ' LEU . 77.2 mt -105.21 135.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.13 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -130.77 134.19 46.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.88 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -91.33 153.01 44.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.552 0.692 . . . . 75.42 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HG3' ' HB1' ' A' ' 29' ' ' ALA . 54.3 Cg_endo -69.73 -173.22 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 71.51 112.378 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.5 143.26 31.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 54.42 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -64.79 115.66 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 42.41 110.922 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 t -152.56 155.4 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 74.01 110.828 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.2 p -59.94 115.11 3.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 63.22 111.136 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -64.99 176.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.884 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 52.56 31.85 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 64.13 110.932 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.5 p -96.0 42.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 71.41 110.907 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.31 97.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 51.22 112.479 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -145.24 142.69 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 75.52 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -130.84 26.94 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.35 110.867 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -142.76 171.06 14.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.939 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.1 mt -125.38 90.86 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 73.43 110.909 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -161.82 118.6 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 64.35 110.913 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -134.21 -41.0 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 75.45 111.108 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -104.11 152.17 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 72.53 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -119.83 146.23 45.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD23 HG12 ' A' ' 12' ' ' ILE . 3.4 tm? -134.73 136.66 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.918 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.546 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -148.36 106.63 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.909 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -97.13 140.76 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.59 160.09 55.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.641 0.734 . . . . 73.12 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 146.77 61.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 60.15 112.345 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 p -112.95 -73.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.861 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.6 t -172.83 143.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.892 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 m 55.84 46.24 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 53.41 111.151 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -53.69 152.52 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.908 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -98.93 174.83 6.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 74.24 110.928 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.6 t -88.74 152.34 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 64.35 111.166 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -51.67 156.81 2.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 72.03 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.74 18.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.244 . . . . 62.41 112.376 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -86.42 111.14 20.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.5 tpt -133.55 144.41 49.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 54.33 110.885 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -157.95 144.21 17.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 73.13 110.857 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -142.19 164.64 29.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 60.22 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.2 p -113.25 -53.6 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 62.42 111.121 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.25 -43.43 84.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 14.13 112.486 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.0 p -135.09 130.65 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 43.33 110.827 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -52.23 134.37 33.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.815 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -71.41 143.44 50.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.859 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.5 t -94.5 158.82 15.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 73.41 111.138 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -86.17 106.49 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.44 110.877 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -62.01 158.85 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 74.14 110.898 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.18 41.49 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 58' ' ' VAL . 3.4 t 65.23 14.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.11 111.104 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.91 142.53 29.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 72.5 110.859 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.61 154.41 21.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 75.2 110.913 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 119.03 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 52.43 110.828 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.455 ' HD1' HD23 ' A' ' 67' ' ' LEU . 81.3 m-85 -111.81 164.04 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 53.54 110.869 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 m -100.16 -43.96 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 61.53 111.118 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.43 139.78 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 72.13 111.13 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.67 -38.14 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 74.55 110.89 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 36.2 mt-10 -52.64 -32.25 41.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.879 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.455 HD23 ' HD1' ' A' ' 62' ' ' PHE . 5.5 tp -79.9 -37.36 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.93 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.97 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 65.43 111.137 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.1 mp -51.74 -34.36 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.142 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -54.0 -36.42 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.055 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -63.56 -54.9 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 64.52 110.949 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.89 -53.64 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 61.1 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 69' ' ' ILE . 99.3 t -51.44 -30.84 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 43.11 111.129 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.0 -34.42 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.55 111.059 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -126.63 24.51 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt 51.94 40.16 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.7 mt -83.18 140.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 63.15 111.142 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.29 102.88 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.897 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -100.51 134.84 42.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 70.14 110.894 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -110.15 136.91 48.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 62.15 111.158 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.6 m -100.57 122.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.2 111.159 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.1 mt -107.72 136.65 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 51.23 110.872 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -95.38 148.66 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 63.31 110.922 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -70.19 -32.53 70.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 64.32 110.821 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -131.14 160.57 66.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.731 . . . . 72.12 110.905 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 161.81 44.49 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.735 2.29 . . . . 65.12 112.362 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.36 105.15 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.11 110.865 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.0 m -87.18 150.82 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.124 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.9 mp -98.67 145.19 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.106 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.1 m -52.94 155.8 3.95 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.64 0.733 . . . . 60.34 111.118 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.267 . . . . 72.14 112.371 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -66.91 107.7 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 73.32 110.903 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.6 m -114.71 -178.78 3.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 70.42 110.855 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -169.14 134.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 72.3 110.927 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.68 175.19 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 64.23 111.091 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -164.74 130.87 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -140.84 149.94 42.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 61.23 110.878 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -135.31 161.87 34.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.869 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -149.04 137.18 20.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 73.31 111.099 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 160.8 41.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 74.13 110.854 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.76 20.59 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.684 2.256 . . . . 62.53 112.346 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -118.62 95.18 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -72.55 151.29 42.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 62.44 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.863 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.685 0.279 . . . . 70.02 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -125.13 93.97 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.4 110.926 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -82.01 138.47 34.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 73.35 110.835 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -103.84 151.89 22.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 71.21 110.967 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -134.83 70.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.12 111.104 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -118.15 -43.74 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 70.24 110.898 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -139.16 164.55 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.0 m -68.54 173.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 62.13 111.097 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -142.39 137.79 30.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 54.3 110.909 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.837 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -104.75 129.14 53.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 51.52 111.08 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -109.02 102.89 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 71.34 110.85 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.648 ' CG1' HD23 ' A' ' 32' ' ' LEU . 45.4 mt -93.6 140.0 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.159 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -141.79 139.0 32.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -80.63 153.01 73.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 72.13 110.813 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 179.89 3.36 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.768 2.312 . . . . 74.25 112.367 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.56 167.41 20.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 45.44 111.077 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.54 -32.31 65.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.853 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 m -74.75 175.02 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 71.11 110.879 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.09 164.16 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 71.44 111.155 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.8 mtp -124.25 -175.27 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 65.14 110.94 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -70.17 -176.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 74.05 110.92 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.1 p -159.83 125.53 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.878 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.1 -129.64 5.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 63.31 112.461 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -104.72 -34.65 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 73.42 110.868 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -122.4 172.98 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 60.34 110.803 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt 59.81 34.77 21.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 74.01 110.895 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HB3' HG23 ' A' ' 63' ' ' THR . 19.0 mt -84.63 108.62 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.89 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -136.64 134.33 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.87 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -127.65 -44.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 74.3 111.06 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -101.88 158.62 16.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.92 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.2 131.98 56.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 71.13 110.9 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.837 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.4 tm? -136.35 123.15 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.011 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -125.89 113.04 16.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.35 110.888 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -105.48 140.06 39.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.917 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.91 160.36 8.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 71.34 110.843 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -176.01 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 72.54 112.323 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 p -114.78 -28.4 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 71.41 110.85 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 61.51 44.49 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 63.24 110.899 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -126.53 163.06 24.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 54.44 111.155 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -57.4 114.91 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.983 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -84.13 121.76 27.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.92 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -58.47 150.34 22.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 61.55 111.17 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.14 160.96 72.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.726 0.774 . . . . 64.24 110.79 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 178.44 4.55 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.68 2.253 . . . . 61.32 112.39 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.4 155.02 17.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 72.14 110.871 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 ptp -60.8 170.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 64.51 110.898 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -73.78 90.29 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 62.23 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -127.45 -50.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.876 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.9 p -84.77 -42.38 15.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 71.43 111.166 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.08 -97.26 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 71.13 112.443 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.1 p -112.67 179.35 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 63.43 110.885 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -115.59 -31.38 5.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.887 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.0 141.35 22.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.948 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.84 170.22 18.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 75.21 111.116 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -129.91 116.5 18.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.873 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -79.4 139.4 37.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 72.2 110.922 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -138.32 163.02 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.3 110.933 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 m -112.79 -28.29 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 75.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 24.3 p -107.52 133.35 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 74.54 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 62' ' ' PHE . 1.3 pp -135.74 164.94 26.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 64.42 110.927 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.403 ' N ' HD12 ' A' ' 60' ' ' LEU . 14.8 m -117.13 135.1 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 70.5 110.797 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.736 ' CE2' HD11 ' A' ' 60' ' ' LEU . 9.3 m-85 -111.64 158.14 19.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 74.13 110.835 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.595 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -67.33 -49.11 65.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 71.31 111.107 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.02 161.86 31.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 61.25 111.166 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.726 ' O ' HD12 ' A' ' 69' ' ' ILE . 2.3 ptt180 -57.21 -47.39 81.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.868 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.95 -32.53 33.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.04 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.722 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -62.53 -39.1 92.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 51.33 110.903 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -58.1 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.726 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.3 mp -55.47 -34.2 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 63.12 111.163 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.88 67.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 40.11 111.118 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -78.14 -47.56 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.12 110.917 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -66.81 -56.74 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.52 111.091 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 69' ' ' ILE . 92.6 t -51.86 -33.95 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 61.01 111.105 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -31.84 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 44.42 111.073 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -116.5 22.85 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt 51.75 50.29 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.439 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 62.2 mt -103.41 139.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 74.52 111.14 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.32 102.17 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.88 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.549 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 54.8 p90 -99.97 131.32 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.91 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -114.27 124.93 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 72.53 111.154 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.08 122.35 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.046 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.1 mt -108.6 104.17 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.906 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -116.51 114.56 24.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 52.5 110.872 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.26 158.4 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 51.12 110.902 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 52.63 72.8 1.07 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.736 . . . . 70.33 110.914 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 125.36 11.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 44.44 112.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -100.95 132.53 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.864 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -144.17 150.72 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 71.25 111.099 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.08 132.88 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.32 111.168 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.56 155.99 2.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 74.03 111.166 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 126.82 13.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 74.1 112.358 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -94.2 143.52 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 54.14 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m -100.98 164.88 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 73.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -154.95 117.82 4.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 71.3 110.913 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.76 -179.13 5.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 65.14 111.09 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.33 135.82 25.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 62.22 110.886 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -115.78 74.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.972 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -106.71 130.33 54.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.933 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 t -116.62 154.21 30.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.13 -0.486 . . . . 71.15 111.108 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 160.68 35.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.69 . . . . 63.11 110.839 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.8 55.76 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 72.33 112.343 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.99 114.99 29.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 60.43 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -112.16 -56.07 2.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 62.31 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.0 ptt? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 65.33 110.862 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.644 0.259 . . . . 74.01 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -153.82 155.58 36.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 73.1 110.93 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -132.15 112.06 11.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -59.45 113.55 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.87 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.4 m -113.92 28.66 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.173 -0.467 . . . . 71.13 111.107 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t 57.3 43.71 23.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.858 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -115.62 146.98 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.51 110.898 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.407 HG23 HG23 ' A' ' 77' ' ' ILE . 12.8 m -112.24 -179.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.098 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -142.88 141.67 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.859 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.71 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -108.75 124.58 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 54.44 111.138 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -99.56 102.81 14.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.876 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.682 HG12 HD23 ' A' ' 32' ' ' LEU . 55.2 mt -95.89 139.24 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 75.41 111.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -140.03 136.29 33.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 64.42 110.953 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -83.31 153.11 65.6 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 62.53 110.831 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 170.78 15.89 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 72.54 112.285 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.4 151.39 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 63.21 111.143 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -64.66 -35.42 80.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 64.23 110.958 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 p -104.59 97.47 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.1 145.66 47.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 51.12 111.222 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 tpt -118.83 32.27 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 73.25 110.883 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -132.61 139.59 47.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 73.31 110.899 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -115.63 -36.46 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.797 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.06 102.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 64.04 112.501 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -88.47 -50.41 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 72.35 110.817 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 m -104.37 42.49 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.877 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -173.12 147.12 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 72.01 110.877 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' A' ' 63' ' ' THR . 14.1 mt -126.34 98.52 5.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -154.2 119.4 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.964 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -119.76 -34.7 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 52.02 111.099 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -103.74 165.9 10.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 73.53 110.909 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -118.51 149.79 40.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.71 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.4 tm? -148.19 130.18 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.955 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -130.67 106.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 71.4 110.932 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -90.25 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 71.22 110.891 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.6 160.05 8.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 74.53 110.887 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.8 24.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 71.42 112.354 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t 60.98 25.24 15.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 60.12 110.864 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' O ' HG23 ' A' ' 39' ' ' THR . 2.1 t 62.68 31.69 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 64.21 110.895 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 38' ' ' CYS . 0.9 OUTLIER -160.01 163.24 34.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 33.43 111.125 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -116.5 45.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.908 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -90.74 78.67 6.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 75.1 110.912 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.4 p -131.61 122.52 26.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.23 111.161 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -149.04 70.14 10.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.62 0.724 . . . . 54.54 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.64 -177.68 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.666 2.244 . . . . 75.14 112.399 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 46' ' ' MET . 2.5 tt -130.24 149.28 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 64.22 110.908 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.633 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.1 ttt -154.84 166.53 33.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.828 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -116.84 -48.34 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 65.51 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -64.19 109.61 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.926 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.1 p -56.83 135.27 55.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.01 111.112 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.22 154.31 29.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 63.44 112.559 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -66.66 -45.04 80.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 72.35 110.894 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.51 ' O ' HG23 ' A' ' 54' ' ' THR . 30.9 m-70 -116.51 26.74 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 54.31 110.804 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 52.32 32.19 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.879 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 52' ' ' HIS . 43.0 p -121.75 113.36 19.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 63.43 111.107 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -116.7 83.69 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 71.54 110.937 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -119.18 58.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 65.54 111.01 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -95.21 131.97 40.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.886 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.5 m -115.01 -26.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 73.52 111.195 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.7 m -84.25 143.76 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 75.34 110.844 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 tp -116.62 124.65 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.54 110.855 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.1 p -94.29 149.02 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.864 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -135.41 156.12 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.863 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.572 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -62.12 -52.22 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 62.14 111.149 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.4 p -144.21 176.27 9.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 71.13 111.135 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -65.87 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.826 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -49.77 -48.88 50.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -42.63 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.884 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -54.37 -49.89 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.1 111.077 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.7 mp -75.34 -34.91 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.123 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.16 -25.84 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 70.05 111.117 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 10.8 t80 -81.46 -53.13 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.977 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.69 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 72.12 111.094 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 69' ' ' ILE . 87.9 t -62.83 -31.22 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 74.43 111.14 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.58 -30.1 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.51 111.083 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.01 24.74 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 54.21 110.832 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.16 51.59 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 65.23 110.854 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.407 HG23 HG23 ' A' ' 8' ' ' VAL . 69.2 mt -104.16 138.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.43 111.071 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.47 105.36 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 71.01 110.876 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' ' 69' ' ' ILE . 38.8 p90 -100.14 140.98 33.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.893 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.8 t -123.97 122.9 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 71.11 111.153 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.1 123.99 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.26 120.88 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.861 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -129.19 147.97 51.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 60.15 110.883 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -106.08 44.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 55.04 110.887 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -171.96 70.61 0.46 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.684 0.754 . . . . 71.32 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 130.96 20.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.747 2.298 . . . . 51.51 112.315 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -121.65 132.9 54.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 74.1 110.919 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 65.1 p -84.58 140.28 31.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 70.33 111.104 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.4 mp -88.96 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 64.13 111.145 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 90' ' ' VAL . 3.9 p -117.28 77.94 10.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.728 . . . . 63.4 111.085 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 168.06 22.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 61.24 112.322 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -126.49 130.15 50.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 74.45 110.924 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -111.01 172.62 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 64.24 110.906 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -169.88 116.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 74.55 110.964 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.18 -176.4 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 71.53 111.109 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.3 t0 60.07 29.85 19.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 75.02 110.865 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -85.13 137.09 33.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.832 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -133.09 135.88 45.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 72.42 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 p -102.1 167.06 10.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 63.34 111.198 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -167.12 70.54 1.0 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 73.31 110.858 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.8 6.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 71.01 112.356 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 52.39 50.25 18.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 52.02 110.901 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.33 132.16 38.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.863 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.7 ptt? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.886 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.721 0.296 . . . . 42.32 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -120.47 139.6 52.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.45 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -117.24 118.01 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.886 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -69.79 124.58 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.865 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.96 131.94 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.34 111.099 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -95.18 -29.49 14.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 63.04 110.816 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -65.56 171.53 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 51.52 110.909 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 36' ' ' PRO . 28.5 m -61.13 -179.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 72.4 111.108 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -142.48 149.16 38.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 73.41 110.821 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.36 125.17 48.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.43 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -104.49 102.65 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 71.2 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 32' ' ' LEU . 43.6 mt -98.6 135.76 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 74.42 111.117 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.59 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 2.4 m-85 -120.72 147.57 45.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 52.14 110.951 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' HD2' ' HB3' ' A' ' 16' ' ' ALA . 6.9 pttt -70.63 153.3 95.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.554 0.693 . . . . 71.11 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -32.42 18.63 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 63.35 112.318 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . . . -75.92 155.78 34.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.24 111.042 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -132.25 -40.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 52.14 110.832 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -126.65 43.53 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.827 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.52 HG22 ' OD2' ' A' ' 84' ' ' ASP . 14.4 p 49.79 43.16 24.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 55.24 111.15 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.8 mtt -86.09 -74.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 63.31 110.818 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -121.69 -175.25 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.937 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 p -114.21 -74.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 54.23 110.891 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.27 144.37 5.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.76 . . . . 60.22 112.484 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -154.63 -176.03 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 64.34 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -66.08 90.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 70.31 110.842 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 63' ' ' THR . 0.1 OUTLIER -153.27 -176.2 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.819 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.48 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 63.2 110.914 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -51.27 115.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.955 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.71 -37.52 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 55.15 111.103 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -87.58 152.5 22.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 64.32 110.902 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -108.41 147.22 31.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.905 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 33' ' ' GLU . 3.4 tm? -144.01 139.59 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.931 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.654 ' N ' HD13 ' A' ' 32' ' ' LEU . 13.0 tm-20 -151.62 109.02 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 52.34 110.876 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -88.71 137.84 31.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.871 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.14 160.27 78.53 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.605 0.717 . . . . 64.31 110.901 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.594 ' O ' HG12 ' A' ' 8' ' ' VAL . 54.0 Cg_endo -69.81 -171.73 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.214 . . . . 65.22 112.381 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -131.56 168.8 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.859 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.6 p -112.08 32.54 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 75.33 110.861 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.2 p -103.08 -25.0 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.093 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 58.48 35.77 24.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 65.43 110.956 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -72.24 121.14 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 53.41 110.929 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.2 p -85.59 -178.91 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.34 111.171 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -153.49 72.42 6.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.654 0.74 . . . . 75.01 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.25 14.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 73.44 112.302 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 45' ' ' LEU . 2.2 pt? -126.82 170.39 12.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 70.02 110.914 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 ptm -132.84 55.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.888 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -126.77 -50.88 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.785 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -174.08 132.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 70.54 110.899 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -98.89 159.25 15.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 62.33 111.121 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 147.71 -26.57 1.48 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 65.53 112.489 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.6 p -91.66 52.53 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 55.44 110.871 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -100.12 -28.35 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 70.05 110.864 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -60.91 -32.2 71.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 70.34 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -88.05 129.31 35.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.22 111.112 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.84 46.25 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 75.53 110.886 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 59.39 40.86 20.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.957 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -111.29 38.41 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 64.21 110.904 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.2 m -104.28 152.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 62.14 111.149 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.3 p -88.16 154.69 20.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 75.3 110.888 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 mt -118.49 156.94 28.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 53.21 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -143.16 130.68 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.898 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -116.78 160.91 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 26' ' ' LYS . 20.2 m -79.36 -56.33 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.45 111.123 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p -117.79 152.57 35.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 62.11 111.116 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.643 ' O ' HD12 ' A' ' 69' ' ' ILE . 3.1 ptp85 -51.78 -47.97 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.77 -30.41 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 75.04 110.907 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.87 -41.83 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 50.35 110.861 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -62.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 75.35 111.084 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.0 mp -53.69 -34.52 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.17 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.16 -24.74 60.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 71.22 111.053 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 7.5 t80 -79.12 -60.27 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 74.32 110.882 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.0 -51.84 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 61.53 111.122 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 69' ' ' ILE . 83.6 t -56.06 -32.3 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.51 111.181 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.33 -30.06 26.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 51.41 111.041 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -123.25 24.52 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 73.31 110.806 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.84 53.26 12.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 45.02 110.9 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -105.99 143.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 63.34 111.102 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.3 108.73 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.879 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CE2' HG23 ' A' ' 69' ' ' ILE . 49.7 p90 -104.07 136.18 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.911 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 80' ' ' THR . 5.5 t -126.29 121.67 33.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 61.33 111.133 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.3 m -95.62 126.89 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.5 111.107 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 13' ' ' TYR . 2.2 tp -102.21 115.83 31.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 70.14 110.892 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -112.7 165.09 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 72.21 110.911 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.52 ' OD2' HG22 ' A' ' 19' ' ' THR . 9.9 t70 -51.68 153.43 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 72.33 110.872 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -58.79 160.57 10.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.714 . . . . 72.24 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 175.0 8.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 62.33 112.385 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -102.6 173.25 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 73.14 110.854 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -137.65 140.41 40.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 65.44 111.13 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 89' ' ' ILE . 7.0 mt 52.2 36.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.44 111.209 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.53 155.98 2.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.61 0.719 . . . . 63.12 111.135 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 111.48 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.632 2.221 . . . . 61.34 112.351 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -150.52 139.33 20.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 65.22 110.855 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -175.98 145.03 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 65.15 110.843 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -170.29 124.26 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 72.13 110.91 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.62 104.1 13.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 70.32 111.083 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -108.17 109.52 20.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 54.3 110.905 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -146.61 124.77 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.917 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -150.04 138.52 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 74.24 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.4 t -174.97 133.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 65.41 111.181 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -147.08 157.62 45.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 63.32 110.915 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -172.63 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 71.21 112.378 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.38 31.22 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.2 110.916 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -133.74 116.33 15.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.921 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.3 ttp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 52.15 110.899 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.703 0.287 . . . . 74.02 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -85.82 132.56 34.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 55.22 110.919 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -97.46 140.73 31.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.863 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -114.56 80.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.54 110.93 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.0 t -118.2 113.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 52.54 111.153 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -111.18 62.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.864 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -148.17 -179.19 6.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.885 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 77' ' ' ILE . 34.1 m -111.99 176.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 75.1 111.123 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -119.65 140.61 50.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 73.15 110.869 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.898 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -107.0 127.0 53.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 52.22 111.05 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -105.72 103.77 13.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.614 ' CG1' HD23 ' A' ' 32' ' ' LEU . 81.4 mt -94.64 126.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.25 111.177 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -119.45 140.81 49.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.924 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -108.61 89.6 6.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.513 0.673 . . . . 73.11 110.902 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.66 41.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 51.24 112.362 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.31 152.96 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 62.25 111.117 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -26.12 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 63.02 110.861 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -57.3 173.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.855 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 63.03 44.06 6.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 44.14 111.144 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 29.4 mtt -143.44 151.05 39.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 42.21 110.919 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.36 147.47 42.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 52.44 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 t -102.66 155.29 18.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.81 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.74 -57.25 0.43 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.717 -0.754 . . . . 73.35 112.452 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -129.68 64.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 72.02 110.863 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 t -100.43 52.85 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.858 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -91.8 63.02 4.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 71.1 110.868 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.8 mt -131.77 175.76 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 72.05 110.897 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 165.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.868 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.35 -43.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 52.32 111.073 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -97.39 151.8 19.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.943 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -112.48 148.43 34.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.873 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.898 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -150.0 128.68 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.912 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.495 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -132.33 114.98 15.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.33 110.877 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.26 141.26 32.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 54.11 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 160.44 8.96 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.682 0.753 . . . . 52.15 110.823 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.83 178.41 4.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.217 . . . . 71.34 112.305 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 m -151.28 117.6 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 70.32 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.3 t -63.18 -37.4 87.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 71.12 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -96.46 44.18 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.15 111.209 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -57.47 116.87 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.95 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -102.23 141.72 34.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 55.42 110.976 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -62.96 133.83 55.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 73.32 111.208 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -109.49 160.49 27.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.664 0.745 . . . . 75.55 110.837 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 143.56 51.56 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.748 2.299 . . . . 40.11 112.328 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.05 149.11 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 72.41 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttm -171.59 133.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.834 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 53.45 36.49 23.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.92 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -78.58 -34.33 46.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.925 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.4 p -87.0 104.22 16.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 72.14 111.131 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.28 -163.32 36.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 51.02 112.505 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -103.38 114.41 28.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.781 0.324 . . . . 75.44 110.93 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -124.76 142.77 51.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 70.41 110.878 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -129.54 81.98 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 64.44 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 t -171.38 130.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -108.01 42.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.898 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -158.8 171.88 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -130.77 28.31 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 71.12 110.869 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.21 -51.93 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 63.13 111.154 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 94.3 m -85.55 142.75 28.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 64.2 110.828 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt -127.85 145.67 50.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.917 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.4 127.38 45.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.14 158.68 18.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.828 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.492 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -84.14 -47.86 10.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 61.45 111.176 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.41 160.57 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 71.1 111.195 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 69' ' ' ILE . 4.8 ttt180 -54.55 -56.02 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 74.42 110.862 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.95 -36.55 49.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.872 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 63' ' ' THR . 4.0 tp -57.0 -42.78 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 51.01 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.75 -64.43 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 64.43 111.16 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.3 mp -52.3 -35.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 62.13 111.097 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.0 -27.07 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 50.6 t80 -79.11 -53.5 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.51 110.925 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -58.23 -54.98 40.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 63.41 111.061 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.94 -33.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.31 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.71 -30.08 20.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 61.44 111.077 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -126.84 25.0 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 70.1 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt 51.89 47.03 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 50.13 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 8' ' ' VAL . 44.9 mt -93.34 140.7 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 72.12 111.104 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.12 101.25 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.04 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 69' ' ' ILE . 52.5 p90 -99.69 130.17 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.954 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -113.53 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 50.12 111.13 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.71 122.13 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 51.51 111.148 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 tp -109.32 114.18 27.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 53.24 110.888 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -108.5 160.77 15.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 54.42 110.918 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -127.94 109.38 11.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.857 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 56.54 72.24 1.02 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.648 0.737 . . . . 70.2 110.925 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.89 67.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.73 2.287 . . . . 54.45 112.353 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -68.91 174.48 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.95 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.4 p -122.52 27.19 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.45 111.13 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -56.56 158.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.145 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.33 156.2 57.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 43.32 111.178 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.81 61.29 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 73.34 112.405 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -137.87 122.93 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 71.33 110.896 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t -164.82 150.09 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 75.44 110.792 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -156.87 117.59 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 61.23 110.948 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.46 -179.13 4.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 73.01 111.104 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -142.72 132.07 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 42.22 110.866 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -147.52 153.41 39.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.45 110.845 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -152.13 130.36 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.14 110.877 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.6 p -151.66 149.49 29.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 75.42 111.14 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.74 73.1 28.92 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.561 0.696 . . . . 73.4 110.918 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 116.45 4.56 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.773 2.315 . . . . 71.31 112.286 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -94.51 87.68 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.1 110.928 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -113.89 151.06 32.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.934 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.7 mtp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 75.55 110.843 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.756 0.312 . . . . 61.54 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -118.36 59.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.949 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -138.27 146.61 42.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.867 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -125.52 159.86 30.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 62.24 110.91 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 m -131.1 140.33 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.42 111.108 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -169.66 157.53 7.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 61.34 110.797 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -133.35 153.2 51.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 73.05 110.876 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -57.61 178.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.483 . . . . 72.54 111.147 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -141.28 141.71 33.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 73.54 110.886 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -103.1 131.64 49.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.127 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -109.45 102.97 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.644 ' CG1' HD23 ' A' ' 32' ' ' LEU . 51.2 mt -96.42 135.66 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.177 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -129.29 135.92 49.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.876 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 152.98 50.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 73.04 110.942 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 109.37 2.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 64.25 112.33 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 150.73 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 52.33 111.117 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -76.03 166.2 23.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 73.11 110.891 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p 53.87 29.27 9.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.842 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.9 t -90.46 -32.03 16.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 53.42 111.151 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -146.76 154.51 41.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 61.23 110.911 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -76.38 -40.21 51.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 61.22 110.902 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -141.78 167.55 21.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 70.03 110.902 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.52 -37.77 4.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 34.25 112.46 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 61.85 49.05 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 70.33 110.844 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.5 p 51.96 37.48 21.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 70.11 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.04 152.31 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 65.25 110.837 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 63' ' ' THR . 21.7 mt -102.4 -26.92 13.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.898 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -109.73 134.92 51.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.825 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.35 -44.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.051 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -98.99 159.64 14.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.43 110.934 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -119.2 151.6 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.1 tm? -151.17 131.25 13.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.436 ' H ' HD22 ' A' ' 32' ' ' LEU . 4.0 tp10 -134.0 109.88 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.892 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -90.07 141.33 28.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 71.31 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.57 136.39 96.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.714 0.769 . . . . 73.31 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 134.3 27.5 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.714 2.276 . . . . 62.0 112.266 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -124.7 -54.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 60.02 110.897 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.7 p -151.29 178.01 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 62.42 110.885 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -107.11 118.29 36.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 73.33 111.149 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -129.46 139.33 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.86 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.4 111.46 1.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.99 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -123.04 139.75 53.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 71.2 111.113 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.82 160.5 36.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 65.02 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -28.73 24.54 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.714 2.276 . . . . 73.43 112.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 tp 51.05 67.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 72.33 110.882 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.9 ttp -160.71 163.65 32.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 70.34 110.88 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -57.3 171.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.855 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -53.7 126.63 22.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 72.45 110.927 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.3 p -108.17 -178.53 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 65.31 111.168 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.31 -107.24 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 71.31 112.449 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -119.06 -69.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.925 0.393 . . . . 71.21 110.854 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -129.76 60.07 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 72.42 110.908 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -113.95 30.44 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.33 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.9 p -82.87 168.52 17.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 53.51 111.162 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.18 134.42 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 64.45 110.882 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -57.61 140.1 51.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 72.41 110.909 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -103.6 163.11 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.885 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.6 t -121.73 -67.78 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 53.41 111.156 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.4 p -98.21 152.56 19.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.944 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.44 132.7 48.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.921 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.05 133.06 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.914 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.671 ' CD1' HD12 ' A' ' 67' ' ' LEU . 48.9 m-85 -121.0 156.31 32.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 64.12 110.903 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 27' ' ' LEU . 1.3 m -78.24 -49.84 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.52 111.126 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 172.68 7.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 71.14 111.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 69' ' ' ILE . 6.1 ttt180 -71.59 -49.39 40.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 71.53 110.847 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -52.37 -29.46 24.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.89 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD12 ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -60.19 -43.69 95.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.912 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.61 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -63.33 -50.36 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.52 111.077 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.8 mp -64.51 -32.9 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 75.25 111.163 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -24.94 67.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 52.31 111.095 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.96 -49.13 11.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 73.32 110.934 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -54.69 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.51 111.105 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.3 t -51.99 -33.02 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 74.23 111.125 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.94 20.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 75.11 111.113 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -122.64 24.62 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.881 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp 51.99 43.83 30.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.897 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.7 mt -94.84 140.83 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 64.43 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.25 107.31 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.901 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.55 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.6 p90 -100.64 137.23 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.92 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -117.45 139.12 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.22 111.16 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.6 m -97.62 120.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 42.13 111.137 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 mt -108.78 115.47 30.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -129.97 152.95 48.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.863 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.02 132.35 49.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.15 110.885 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 47.0 t30 55.1 70.25 1.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.673 0.749 . . . . 62.23 110.828 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.75 48.65 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.273 . . . . 71.04 112.326 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -66.52 151.75 46.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 62.33 110.89 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 t -142.47 145.14 33.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 74.31 111.087 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.6 mt 65.51 150.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 64.54 111.098 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.08 156.0 74.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 74.45 111.175 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 71.04 112.365 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -142.52 120.78 12.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 63.03 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 p -166.49 120.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 64.22 110.862 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -167.35 124.71 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 72.02 110.946 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.54 163.4 22.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.44 111.074 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -159.33 107.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.816 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -125.59 178.76 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.924 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -149.95 126.36 10.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.4 110.887 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -127.56 85.35 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 73.4 111.156 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -130.61 71.82 82.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.545 0.688 . . . . 71.3 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 173.97 10.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 71.35 112.28 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.97 157.38 40.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 65.15 110.841 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -151.91 168.75 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.837 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 28.4 ttm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 63.11 110.879 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 mmt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.75 0.309 . . . . 75.31 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -137.35 115.38 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 64.32 110.884 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -165.18 142.18 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 64.24 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -97.5 92.41 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 63.11 110.933 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -172.3 146.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 53.33 111.101 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -102.45 107.05 17.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 53.03 110.846 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -151.48 161.78 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.918 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -107.36 -177.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.22 111.067 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -143.4 148.75 36.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 73.43 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.73 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.02 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 54.32 111.159 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -95.92 102.82 14.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.859 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.587 HG12 HD23 ' A' ' 32' ' ' LEU . 61.9 mt -104.23 132.78 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 71.42 111.135 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -151.05 149.81 29.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 75.42 110.91 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -110.19 89.85 8.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 74.31 110.842 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 153.17 68.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 65.33 112.354 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.2 132.0 37.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 71.23 111.04 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -136.55 173.78 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.04 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -80.97 139.04 36.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 70.53 110.856 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -116.73 -40.79 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 75.14 111.167 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 mtp 61.62 35.66 17.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.862 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 54.21 48.72 20.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 71.11 110.913 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.2 p -73.38 139.7 46.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.907 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.29 -90.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.754 . . . . 71.22 112.458 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -75.66 141.82 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 75.23 110.828 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t -120.99 71.49 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 60.25 110.823 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -102.47 47.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.891 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.56 168.51 14.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.891 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -54.43 120.56 6.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 73.01 110.923 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -108.96 -38.17 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 73.13 111.109 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -109.16 140.13 43.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.92 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.06 134.22 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.73 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.6 tm? -125.52 124.61 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 65.02 110.935 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.49 ' N ' HD22 ' A' ' 32' ' ' LEU . 6.6 tp10 -130.11 103.38 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 71.44 110.876 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -86.05 141.18 29.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.06 160.21 9.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 72.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.63 126.91 13.96 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.669 2.246 . . . . 64.01 112.369 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 p -104.32 -26.27 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 54.24 110.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.6 m 63.32 35.62 12.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 61.23 110.834 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 t -103.99 147.71 27.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.151 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.85 88.98 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.13 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -93.65 81.6 4.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.95 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -96.31 85.25 3.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 72.51 111.132 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -175.6 71.78 0.27 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 73.22 110.929 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 115.65 4.19 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.718 2.279 . . . . 73.32 112.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mt -93.49 177.84 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.936 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.0 ptm -143.42 165.88 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 64.34 110.844 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.419 HD22 ' N ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -172.99 -178.9 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 62.52 110.897 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.43 -57.98 6.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 74.51 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.1 p -80.84 77.4 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 61.31 111.194 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.64 52.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 55.02 112.476 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.6 m -73.24 -28.81 62.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 74.15 110.802 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.1 165.86 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 73.2 110.881 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.33 140.4 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.845 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.5 m -95.64 41.14 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 45.22 111.128 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -54.74 173.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 74.5 110.917 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -71.18 93.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.93 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -106.64 160.61 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.946 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 m -113.44 -29.49 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 73.14 111.103 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 71.8 m -89.77 130.72 35.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.452 . . . . 74.24 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt -112.22 146.61 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 71.04 110.872 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -126.47 122.17 34.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.33 143.28 46.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.868 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.9 m -68.31 -50.33 54.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.146 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.2 162.39 16.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 75.42 111.094 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.701 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.2 ptt180 -66.66 -47.08 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.872 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -51.77 -30.49 23.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 52.42 110.858 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.84 -39.07 80.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 72.1 110.929 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.3 -61.55 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.119 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.5 mp -53.69 -34.06 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.109 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.87 -24.03 55.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 74.24 111.15 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.86 -45.24 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.24 110.943 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.21 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 52.02 111.097 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 69' ' ' ILE . 98.9 t -51.61 -30.23 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.21 111.125 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.99 -28.57 38.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 75.05 111.194 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -126.75 24.93 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.83 44.8 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 64.13 110.92 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.0 mt -92.34 141.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 54.42 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.22 102.13 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 62.45 110.837 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG23 ' A' ' 69' ' ' ILE . 54.0 p90 -99.97 133.82 43.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 70.33 110.917 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -116.95 121.53 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 74.5 111.116 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.3 m -95.73 124.61 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.131 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -109.37 114.99 29.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.901 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -102.51 157.85 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 73.23 110.909 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.73 -36.35 83.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 60.51 110.897 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -164.7 143.08 5.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 61.54 110.914 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 111.54 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.663 2.242 . . . . 54.3 112.347 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -52.13 -60.68 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 t -140.74 137.14 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 64.22 111.145 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.45 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.7 pp -131.22 142.77 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 62.21 111.083 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.0 t 52.13 73.83 0.89 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 75.13 111.171 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 155.79 64.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 63.22 112.352 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -57.72 -68.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.918 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.0 p -173.13 174.85 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 70.35 110.833 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -172.42 125.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 64.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.95 156.46 17.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 65.24 111.124 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -139.49 110.94 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.946 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -157.56 155.57 30.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.866 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -128.48 119.0 24.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 71.41 110.887 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.8 t -144.7 124.88 13.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 73.51 111.149 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -51.58 156.97 1.98 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 45.13 110.93 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 -29.21 23.83 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.66 2.24 . . . . 53.31 112.35 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 60.39 28.34 17.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.873 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -108.4 118.47 36.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 75.11 110.858 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 33.9 mtt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 54.34 110.843 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.696 0.284 . . . . 72.15 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -115.53 28.38 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 54.51 110.913 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -111.6 116.79 31.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.887 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -135.09 178.27 7.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 p -167.68 139.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 73.15 111.152 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -95.89 131.17 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.847 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -155.73 175.9 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 73.43 110.934 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -110.53 -179.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.44 111.193 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -143.74 155.05 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.869 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.777 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -117.26 151.82 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 44.41 111.058 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.96 103.11 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.908 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.526 HD12 ' HD2' ' A' ' 79' ' ' TYR . 70.9 mt -102.55 119.14 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 65.12 111.096 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -123.59 144.88 49.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.939 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -109.52 89.65 7.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.562 0.696 . . . . 73.12 110.863 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 102.57 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 74.32 112.357 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.94 112.46 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 63.45 111.091 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -169.39 -177.45 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 64.33 110.897 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.6 p -66.99 177.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.814 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.02 104.59 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 71.22 111.111 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -53.8 170.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.828 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -77.05 -34.23 57.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 75.01 110.891 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -119.65 127.0 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 51.31 110.856 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.72 -46.29 1.34 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 34.54 112.504 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 52.15 35.98 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 75.41 110.834 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 m 55.41 43.27 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 70.22 110.866 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.41 97.16 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 71.43 110.949 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt 52.48 37.27 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 61.34 110.903 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -156.83 111.44 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.873 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -116.83 -29.01 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 61.51 111.116 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -109.17 155.77 20.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.871 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -123.53 130.91 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 63.02 110.881 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.799 HD11 ' CD2' ' A' ' 34' ' ' PHE . 1.7 tm? -124.0 122.6 38.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.96 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.603 ' N ' HD22 ' A' ' 32' ' ' LEU . 2.2 tm-20 -121.74 101.8 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 64.52 110.885 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.799 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.8 m-85 -82.03 147.27 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.897 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -70.91 159.79 84.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 73.2 110.934 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 143.85 52.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 60.23 112.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -126.0 -72.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 73.3 110.838 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.3 m -143.43 163.2 33.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 74.4 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -58.87 139.46 56.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.125 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -121.63 134.54 54.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.944 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -80.45 73.12 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.903 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.5 p -62.18 139.5 58.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 72.2 111.159 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -158.18 68.5 3.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 73.53 110.888 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 154.4 67.56 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.673 2.249 . . . . 61.42 112.378 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.5 tp -56.71 -54.18 49.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.856 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpt -65.73 124.45 22.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.849 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -74.74 116.63 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -95.83 173.23 7.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.89 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.2 p -88.13 136.39 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 72.12 111.158 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.32 138.09 49.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 51.12 112.48 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -134.71 134.76 41.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 72.1 110.902 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -90.67 -52.35 4.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.853 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -86.63 113.69 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.905 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -171.36 157.96 5.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 73.11 111.17 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -92.07 -177.61 4.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 65.25 110.944 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -120.25 25.21 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.957 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -98.71 132.8 43.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.845 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.8 t -126.6 146.16 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.52 111.104 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 p -143.81 154.98 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.923 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -135.14 168.17 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.878 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p -112.01 146.2 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 43.54 110.823 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -117.74 173.56 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 54.1 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.29 -38.1 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 62.22 111.14 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -136.78 151.71 49.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.102 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 69' ' ' ILE . 5.4 ptp180 -56.07 -40.55 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.14 110.863 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 56.1 mt-10 -51.38 -30.59 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.807 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.36 -34.6 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 62.45 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.42 -59.4 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 75.31 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.64 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 4.4 mp -59.04 -34.62 53.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.15 111.159 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -57.09 -31.49 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 50.21 111.081 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -69.98 -57.29 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 65.43 110.949 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.7 -53.2 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 63.31 111.133 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 69' ' ' ILE . 91.4 t -53.33 -32.16 19.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 71.1 111.081 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -53.2 -35.31 59.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 70.1 111.149 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.69 17.71 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.864 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.26 47.4 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.914 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.538 HD13 ' CE1' ' A' ' 34' ' ' PHE . 30.1 mt -92.84 142.11 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.34 111.083 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.11 97.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.829 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.64 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 44.5 p90 -101.85 139.13 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.915 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -110.69 138.1 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 45.3 111.093 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.7 t -104.6 114.17 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.182 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.4 mm? -109.08 117.32 33.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.88 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -128.19 156.77 42.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.21 110.928 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -130.87 117.67 19.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 73.14 110.848 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 60.44 70.67 0.96 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 73.35 110.888 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 101.62 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.79 2.327 . . . . 74.33 112.366 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -86.33 74.65 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 75.53 110.826 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.8 m -103.28 76.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 61.53 111.232 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 90' ' ' VAL . 17.0 mm -95.5 158.11 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 54.03 111.119 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.428 ' N ' HG22 ' A' ' 89' ' ' ILE . 3.8 m -52.87 155.83 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 54.52 111.135 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 126.04 12.84 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.628 2.219 . . . . 74.55 112.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -128.38 131.07 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.909 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m -95.8 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.846 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -169.55 128.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 63.52 110.861 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.34 133.6 48.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 75.2 111.185 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -172.76 160.09 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 72.31 110.888 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -114.56 138.0 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -103.17 154.36 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.868 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.535 HG22 ' HD3' ' A' ' 101' ' ' PRO . 1.6 m -149.89 131.58 14.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.055 -0.52 . . . . 73.2 111.151 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -130.59 69.75 82.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.525 0.678 . . . . 74.21 110.889 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.535 ' HD3' HG22 ' A' ' 99' ' ' THR . 53.6 Cg_endo -69.7 153.55 69.06 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.734 2.29 . . . . 74.35 112.377 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -90.08 151.02 21.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 74.03 110.82 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -124.65 165.41 17.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 61.05 110.856 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 51.21 110.846 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.726 0.298 . . . . 75.31 110.911 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -163.02 130.51 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 71.33 110.906 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -168.46 123.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 75.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -125.33 176.52 6.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 64.55 110.944 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.9 25.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 42.54 111.08 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -104.7 -68.7 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.825 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -120.78 149.51 42.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.845 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 77' ' ' ILE . 16.4 m -69.44 172.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 74.44 111.168 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -125.9 146.11 49.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.88 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -105.43 119.93 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 64.53 111.052 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -99.64 103.15 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.587 ' CG1' HD23 ' A' ' 32' ' ' LEU . 54.7 mt -95.83 139.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.13 111.121 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -142.61 146.8 34.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 62.15 110.862 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -108.73 89.58 6.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.569 0.699 . . . . 71.34 110.829 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.17 43.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.739 2.293 . . . . 72.14 112.286 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.97 166.02 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 60.24 111.11 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -72.21 176.84 4.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.854 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.9 t -148.95 160.32 43.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.829 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.34 135.58 44.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 71.22 111.121 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.7 ttt 52.63 53.65 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 63.31 110.894 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.46 85.72 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 63.33 110.901 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.9 p -115.46 148.84 38.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.898 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.91 -86.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.826 -0.702 . . . . 64.13 112.53 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -116.75 -36.01 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 63.13 110.83 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.1 m -153.11 138.23 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 62.01 110.809 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -102.33 40.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 74.14 110.91 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -126.62 68.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 75.15 110.857 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -141.82 126.44 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 71.34 110.877 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.62 -40.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 64.33 111.064 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -111.11 158.38 18.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 70.35 110.882 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -126.32 152.27 46.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 54.42 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.4 tm? -143.58 134.71 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.982 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.482 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.1 tp10 -133.81 104.16 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 71.34 110.91 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -86.33 138.38 31.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 73.15 110.895 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.97 160.22 48.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.593 0.711 . . . . 70.12 110.908 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.15 41.9 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.678 2.252 . . . . 53.44 112.38 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -110.43 -73.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 53.21 110.846 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.1 p -163.27 163.06 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.862 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -67.55 128.68 37.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 65.53 111.163 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -73.21 147.03 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 60.51 110.936 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -84.6 156.86 21.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 62.53 110.912 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 p -59.28 172.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 53.11 111.165 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -137.7 160.54 64.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.549 0.69 . . . . 74.32 110.936 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -17.51 37.47 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 74.44 112.368 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 pp -113.17 29.48 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 54.33 110.92 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -58.79 151.88 20.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 65.41 110.898 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -89.23 117.2 28.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 74.33 110.841 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -84.45 155.62 22.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 65.31 110.957 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 m 64.28 44.62 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 65.14 111.145 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.1 -150.85 7.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 73.05 112.509 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -80.8 171.53 14.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 72.44 110.895 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -92.62 153.45 19.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 64.21 110.927 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -71.21 143.35 50.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 74.35 110.925 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -170.73 164.99 8.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.31 111.151 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -96.27 120.68 37.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 61.13 110.869 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 58' ' ' VAL . 16.2 mt-30 -146.23 124.85 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.874 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -53.71 128.62 30.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 62.34 110.869 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 56' ' ' GLN . 25.0 m -126.16 136.12 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 55.12 111.159 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.8 p -120.69 154.46 35.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 70.12 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 62' ' ' PHE . 1.4 pp -127.12 170.45 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.947 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.537 ' N ' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -126.95 140.64 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.828 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 60' ' ' LEU . 36.5 m-85 -109.97 158.42 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 74.11 110.845 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -44.84 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 73.42 111.206 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -123.65 154.15 39.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 74.42 111.155 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 69' ' ' ILE . 10.5 ttt180 -53.42 -53.46 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 73.01 110.89 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -53.2 -28.65 27.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 64.43 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.59 -33.82 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 62.2 110.914 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -73.88 -49.85 23.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 65.01 111.109 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 65' ' ' ARG . 5.0 mp -66.91 -32.77 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 61.41 111.126 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.56 -25.31 67.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.109 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 28.4 t80 -79.34 -50.73 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.992 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.37 -56.15 18.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.15 111.088 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 69' ' ' ILE . 93.0 t -51.86 -31.01 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.13 111.152 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.1 -30.67 27.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 43.24 111.121 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -124.23 25.23 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.851 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp 51.97 55.29 9.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 53.45 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 8' ' ' VAL . 66.4 mt -106.62 142.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 63.05 111.109 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -71.29 104.15 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.895 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.0 p90 -100.57 135.93 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.941 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -121.27 121.59 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 71.22 111.177 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 81' ' ' VAL . 18.5 m -88.53 122.07 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.094 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 mt -109.19 108.09 18.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 71.31 110.896 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -110.77 162.84 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.938 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -53.05 -54.42 35.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 70.41 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -130.44 161.33 61.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.683 0.754 . . . . 73.44 110.824 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 176.58 6.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 72.32 112.327 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.17 143.93 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 71.1 110.901 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.8 t -97.98 151.02 20.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 55.53 111.097 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.8 pt -111.52 167.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.44 111.086 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.62 72.91 62.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 52.24 111.135 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.17 62.37 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.72 2.28 . . . . 64.31 112.373 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 170.84 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 63.13 110.895 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -166.6 140.82 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 52.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -160.56 114.48 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 75.21 110.926 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.56 133.94 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 70.45 111.048 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.72 149.39 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.14 110.876 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -67.64 121.78 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.936 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -122.38 159.14 28.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.9 t -152.47 164.43 37.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.34 111.187 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -93.18 137.64 23.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.596 0.712 . . . . 71.11 110.914 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -174.39 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.748 2.299 . . . . 64.3 112.344 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -112.51 122.74 48.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.887 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -116.03 175.56 5.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.838 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 74.53 110.856 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.792 0.33 . . . . 73.35 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.36 160.86 8.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.915 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -131.34 134.83 46.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 62.02 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -91.89 103.81 16.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.15 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.07 44.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 51.25 111.102 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -115.72 153.81 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 52.23 110.845 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -84.16 -70.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 63.43 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 77' ' ' ILE . 21.3 m -117.25 178.54 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 72.12 111.094 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -137.26 146.83 45.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.05 128.9 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 42.35 111.103 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 102.93 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.882 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.479 HG12 HD23 ' A' ' 32' ' ' LEU . 60.6 mt -106.21 117.44 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.1 111.102 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -137.7 150.55 47.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 63.03 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 32.7 tptt -114.91 90.13 21.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 74.43 110.938 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.4 Cg_endo -69.78 136.04 31.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 72.35 112.438 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.18 141.44 49.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 64.24 111.055 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -144.33 140.0 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.783 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -114.8 30.71 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 51.33 110.855 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -111.46 74.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 63.34 111.124 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.6 ttt -67.38 98.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 72.21 110.919 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -64.42 157.86 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 62.13 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -102.33 -179.79 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.893 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.3 -80.52 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.777 . . . . 63.35 112.593 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -91.32 151.59 20.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 75.31 110.89 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 p -114.27 42.49 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.822 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.76 138.5 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 63.32 110.89 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.46 176.36 5.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.933 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -52.17 118.44 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.912 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.54 -51.35 2.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 74.22 111.094 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -88.28 152.53 21.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 75.05 110.906 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -120.41 117.03 26.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.701 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.1 tm? -103.2 131.51 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.884 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.459 ' H ' HD22 ' A' ' 32' ' ' LEU . 2.9 mm-40 -138.78 104.09 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.926 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -85.22 138.56 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.875 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.67 160.14 83.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 75.32 110.936 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.78 150.92 68.73 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.718 2.279 . . . . 53.33 112.4 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -100.78 -177.86 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.862 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -95.07 -55.32 3.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -62.6 159.11 16.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 63.44 111.144 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -85.15 151.77 23.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.908 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -87.89 164.5 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.917 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -57.51 149.88 20.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 71.41 111.147 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.59 160.55 59.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.684 0.754 . . . . 64.42 110.878 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.95 67.56 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 52.23 112.331 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -125.81 162.54 24.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 61.04 110.894 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.7 ptm -70.86 174.68 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 51.12 110.919 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -162.32 161.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 73.44 110.944 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 30.1 p90 -121.19 26.02 9.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.937 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.22 175.56 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 72.03 111.145 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.56 -99.33 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.786 -0.721 . . . . 35.53 112.548 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -134.25 65.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 63.4 110.859 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -86.33 113.43 22.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.45 110.897 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -63.26 147.84 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 63.4 110.836 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.83 99.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.219 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -162.45 121.86 2.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.933 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -96.43 131.11 43.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.895 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -87.78 129.31 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.01 110.882 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.6 m -103.19 -32.65 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.5 111.156 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.12 147.45 26.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.885 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -126.62 156.69 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.917 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.56 141.24 39.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.889 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -131.89 143.84 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.18 -48.79 49.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 75.02 111.198 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.65 177.54 4.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 64.43 111.171 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -77.16 -48.26 18.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 61.44 110.892 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.1 tp10 -50.1 -30.18 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 60.44 110.944 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 tp -79.24 -38.05 36.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.03 110.893 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.8 -64.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.067 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.0 mp -51.23 -31.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 64.21 111.103 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -51.18 -47.38 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.118 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 80.3 t80 -51.87 -50.7 60.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 77' ' ' ILE . . . -63.55 -55.55 23.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 61.15 111.1 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 69' ' ' ILE . 99.1 t -51.45 -30.7 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.31 111.109 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.14 -35.83 49.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 62.44 111.059 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -126.47 25.83 6.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.907 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.62 45.4 28.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.912 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 8' ' ' VAL . 53.4 mt -91.09 141.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -71.3 107.43 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 51.5 110.883 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE1' HG23 ' A' ' 69' ' ' ILE . 53.3 p90 -101.61 130.03 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 60.42 110.979 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 t -105.89 133.89 49.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 70.22 111.116 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.2 m -105.83 110.98 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.136 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.1 mt -109.26 117.43 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -118.68 138.65 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 71.11 110.897 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -138.84 129.04 25.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.891 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 54.43 73.37 0.91 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.661 0.743 . . . . 71.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 131.83 22.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 73.22 112.348 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -132.91 136.23 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 t -159.26 136.39 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 71.32 111.13 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.4 pt -147.73 167.18 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.449 . . . . 61.52 111.17 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.9 t -129.47 71.99 82.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 62.43 111.17 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 145.18 56.29 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.265 . . . . 65.14 112.316 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 91.71 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 73.02 110.916 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -56.56 121.25 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 64.1 110.882 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -157.63 113.31 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 74.33 110.9 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.04 159.06 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.11 111.068 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -127.66 120.28 27.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 51.54 110.969 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 61.91 31.1 18.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 52.21 110.914 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -104.78 111.23 23.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.866 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 p -133.94 136.81 44.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.183 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.92 73.62 33.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.575 0.702 . . . . 73.22 110.916 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 172.65 12.25 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.686 2.257 . . . . 62.34 112.279 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -102.39 104.89 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.34 110.825 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -142.42 143.52 32.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 12.7 mtt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 70.45 110.869 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 ttm . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.74 0.305 . . . . 73.34 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -120.89 164.83 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.87 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -145.21 178.72 7.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 54.2 110.894 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -123.77 156.24 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 71.34 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -137.59 141.28 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 71.31 111.162 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -111.93 -74.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.839 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -76.01 168.22 20.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 71.14 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -72.21 -178.73 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 74.11 111.121 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -143.72 145.49 32.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.808 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.06 125.96 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.31 111.107 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -108.03 102.91 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.852 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.663 HG12 HD23 ' A' ' 32' ' ' LEU . 46.6 mt -94.81 141.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 61.34 111.09 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -141.56 130.19 22.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.944 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -79.62 152.96 75.77 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 71.3 110.878 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 157.54 60.09 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.632 2.222 . . . . 75.03 112.386 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.97 162.43 24.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 73.43 111.098 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -79.01 -36.08 41.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.904 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 t -108.24 81.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.893 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 t -99.37 35.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 73.53 111.175 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.3 mtm -101.49 64.45 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 64.42 110.832 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -104.82 -52.55 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 72.24 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -114.63 -73.07 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 52.13 110.911 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.3 -168.97 22.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 51.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -124.88 139.9 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 74.03 110.931 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.3 m -137.4 -179.29 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.805 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -127.93 42.97 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 74.2 110.925 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.1 mt -101.97 -28.23 12.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.05 110.92 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.26 153.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 61.43 110.936 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -131.67 -44.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 64.12 111.095 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -97.07 157.2 16.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.442 . . . . 74.21 110.918 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -111.14 139.29 46.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.868 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 12' ' ' ILE . 3.2 tm? -135.8 129.81 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.921 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.494 ' N ' HD13 ' A' ' 32' ' ' LEU . 19.4 mm-40 -127.76 103.36 7.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.811 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -100.14 133.26 44.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.888 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -64.2 160.04 52.36 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.671 0.748 . . . . 75.24 110.913 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 153.31 68.93 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 71.2 112.305 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.32 -69.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.807 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.8 m -152.31 169.32 22.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.141 -0.481 . . . . 72.2 110.837 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -79.95 124.45 28.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 53.41 111.114 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -144.44 166.55 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 73.05 110.927 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -127.85 88.45 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 44.35 110.937 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 p -104.17 12.17 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 72.33 111.148 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -64.21 137.41 97.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 75.31 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 148.56 65.17 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.663 2.242 . . . . 53.14 112.352 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.04 28.51 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 75.14 110.905 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -117.18 28.63 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 70.41 110.842 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -95.25 64.45 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 52.44 110.836 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -52.47 -53.04 50.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 75.3 110.93 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -84.89 98.5 10.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.436 . . . . 73.51 111.173 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.0 143.3 5.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 60.31 112.497 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.7 p -70.69 169.56 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.365 . . . . 74.3 110.861 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -69.61 129.27 39.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 64.14 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.13 -60.3 2.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 73.5 110.866 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 m 55.5 42.89 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 40.3 111.158 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -129.39 132.89 47.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 70.13 110.944 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -103.79 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 72.44 110.955 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.99 163.64 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 61.45 110.964 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.89 -32.2 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.22 111.071 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.9 m -83.86 117.25 23.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.929 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.582 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.7 tp -118.07 126.06 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 64.22 110.949 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -97.48 153.36 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 62.5 110.865 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 22.3 m-85 -137.47 157.79 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 71.12 110.913 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.587 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -64.11 -54.06 39.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 51.23 111.166 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.8 p -137.98 166.94 22.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.138 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.737 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.9 OUTLIER -53.38 -41.68 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.878 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.71 -35.44 42.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 42.52 110.883 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.461 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -67.48 -38.61 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.44 110.973 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.597 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -66.37 -60.71 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 71.15 111.1 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -55.36 -35.8 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.128 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.87 -24.48 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 63.43 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -79.73 -46.54 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.877 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.68 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 69' ' ' ILE . 97.4 t -52.11 -32.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 64.41 111.131 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.91 -30.11 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 42.23 111.013 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -122.33 24.61 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 73.43 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 51.93 55.58 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.78 143.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 73.52 111.111 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.37 104.51 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.879 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 52.2 p90 -100.36 130.92 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.003 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 t -113.8 124.96 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.4 111.189 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.62 114.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 60.31 111.091 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 tt -99.97 118.05 35.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.876 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -125.44 142.22 51.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 55.45 110.978 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -100.68 144.09 30.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.819 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 58.94 70.45 1.15 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 73.23 110.925 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 144.33 53.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.243 . . . . 61.25 112.342 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -129.23 124.26 34.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.828 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.6 m -76.51 107.3 8.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.115 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.7 pt -104.55 170.74 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.135 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.0 p -133.09 77.92 66.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.561 0.696 . . . . 74.23 111.174 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 101.59 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.766 2.31 . . . . 63.12 112.36 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -56.6 142.49 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.898 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.4 p -79.62 142.86 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 74.1 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -166.71 128.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 72.31 110.907 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.76 147.75 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 42.14 111.113 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -152.44 146.11 25.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 64.31 110.875 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -67.15 108.94 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.23 110.898 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -70.05 125.8 27.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 75.53 110.901 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.3 p -59.95 124.18 19.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 65.02 111.135 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -124.8 69.94 57.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 72.12 110.87 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 169.44 18.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.636 2.224 . . . . 63.33 112.351 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -116.78 119.33 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 41.44 110.854 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -163.14 130.92 3.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 8.6 mtp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 63.43 110.848 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ppp? . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.742 0.305 . . . . 74.44 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -80.49 136.51 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.855 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.67 123.02 28.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 53.42 110.868 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -86.52 142.7 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 74.11 110.955 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.3 p -167.21 145.26 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 74.43 111.168 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -71.23 -67.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.83 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -56.24 170.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 64.13 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 m -74.88 -179.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.51 111.083 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -142.94 155.81 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 73.53 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.699 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.83 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.1 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -98.34 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.883 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.635 HG12 HD23 ' A' ' 32' ' ' LEU . 62.9 mt -102.91 137.81 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 61.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -161.04 144.87 13.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -115.8 137.68 23.44 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.523 0.677 . . . . 72.42 110.975 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 170.11 17.31 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.651 2.234 . . . . 72.24 112.341 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.39 165.1 12.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 62.02 111.134 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -61.53 121.08 11.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.836 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -77.92 175.41 10.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.827 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -127.28 29.04 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 71.41 111.11 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.5 tpp -98.73 -35.04 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 63.44 110.874 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 56.06 29.58 14.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 62.1 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -80.65 -63.57 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.871 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.06 176.21 20.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 54.51 112.497 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -143.51 169.05 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 73.44 110.858 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.8 p -172.05 139.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 51.01 110.842 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -119.44 34.05 5.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 72.05 110.877 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.21 -37.31 10.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 75.45 110.949 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -127.51 123.95 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 73.24 110.918 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -114.86 -43.46 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.117 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -111.82 145.94 38.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.895 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -111.35 142.87 43.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.93 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.699 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -135.34 127.22 29.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 50.41 110.883 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.477 ' N ' HD22 ' A' ' 32' ' ' LEU . 7.1 tp10 -132.08 107.43 8.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.868 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -85.45 138.98 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.41 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.43 160.17 19.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 62.03 110.894 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 161.89 44.2 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.743 2.295 . . . . 64.15 112.308 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.13 119.41 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 63.41 110.87 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.81 113.87 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 74.14 110.896 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.0 p -120.17 164.87 15.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 64.14 111.175 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -123.25 30.87 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 71.45 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -140.59 144.1 35.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.899 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.1 t -99.26 145.88 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 63.42 111.165 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -154.63 70.75 6.0 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.651 0.739 . . . . 64.43 110.793 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 149.56 66.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 33.52 112.328 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 tp -122.26 111.96 17.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 63.31 110.901 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 ttt -66.33 -47.58 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.4 110.832 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -66.52 121.89 16.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 65.44 110.872 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -168.43 138.75 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 75.34 110.97 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -79.19 118.5 21.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 71.42 111.18 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.07 118.66 4.5 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.782 -0.723 . . . . 65.4 112.448 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.3 m -74.27 -26.94 60.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 52.22 110.888 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -52.68 -31.03 35.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.906 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -122.21 132.62 54.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.907 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.2 p -126.9 26.11 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 43.13 111.127 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -137.73 178.25 7.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 74.25 110.904 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -104.01 102.39 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 75.43 110.985 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -66.52 163.94 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 65.01 110.958 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.4 t -78.78 -26.55 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.054 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.2 m -84.57 133.68 34.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 71.23 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 mt -120.58 146.81 45.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 72.1 110.931 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 t -126.95 134.74 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.811 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -132.12 130.18 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 74.54 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.71 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.6 m -59.47 -48.16 82.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 53.5 111.16 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.81 148.85 39.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 75.14 111.144 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.728 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -58.53 -42.89 88.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.91 -30.23 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 70.13 110.923 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 tp -70.92 -38.87 72.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 55.3 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.4 -62.02 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 41.34 111.133 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.3 mp -53.16 -34.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 74.32 111.143 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.05 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 53.2 111.051 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.482 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.2 t80 -79.66 -55.97 4.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.406 . . . . 73.45 110.884 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.63 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 73.22 111.104 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.8 t -51.98 -33.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.119 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -54.46 -26.66 32.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 62.32 111.211 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -126.47 26.46 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.866 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.04 32.05 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.897 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.3 mt -80.66 139.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 73.34 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -71.94 105.95 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 70.51 110.893 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.526 ' CE2' HG23 ' A' ' 69' ' ' ILE . 50.7 p90 -100.87 137.89 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.15 110.953 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.62 120.87 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.34 111.149 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.83 118.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 64.23 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt -109.17 111.03 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.915 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -102.67 152.2 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 61.03 110.946 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.93 -36.38 83.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 50.52 110.855 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -159.65 69.55 3.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 75.34 110.923 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 163.12 39.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 52.33 112.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -133.89 91.21 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.874 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 m -66.17 121.8 16.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.12 111.13 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.692 HG12 HG23 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -68.64 168.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.127 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.692 HG23 HG12 ' A' ' 89' ' ' ILE . 60.3 t 51.16 74.56 0.78 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.593 0.711 . . . . 75.53 111.21 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 81.68 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.706 2.271 . . . . 64.44 112.309 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -139.28 130.76 27.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 64.23 110.98 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 m -63.39 158.52 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 31.42 110.868 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -167.12 111.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.948 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.34 -179.15 6.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 73.12 111.063 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -141.88 164.08 31.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.898 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -116.43 94.9 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.828 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -110.9 176.23 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 70.54 110.856 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 p -124.93 132.39 53.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 72.12 111.161 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -141.37 70.91 26.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.595 0.712 . . . . 74.1 110.868 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.89 -37.26 9.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 74.22 112.31 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -146.73 140.38 25.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 71.11 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.72 -68.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 71.23 110.842 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 36.4 mtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 62.33 110.91 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.729 0.3 . . . . 73.24 110.802 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -119.17 133.07 55.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 74.52 110.972 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 54.97 57.35 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.949 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -78.42 150.87 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.918 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.1 t -144.0 148.75 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 53.43 111.142 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -93.23 45.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.843 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -149.43 170.23 19.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.886 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 77' ' ' ILE . 19.8 m -76.17 159.13 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 62.11 111.118 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.36 153.53 38.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 75.42 110.828 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -104.55 127.05 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.109 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -105.89 103.68 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.866 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.651 HG12 HD23 ' A' ' 32' ' ' LEU . 46.1 mt -99.27 134.75 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.52 111.115 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -139.87 140.03 36.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.87 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 5.6 ptmt -109.34 89.68 7.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 65.4 110.921 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.8 Cg_endo -69.81 -23.46 30.56 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.705 2.27 . . . . 53.24 112.35 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.15 127.38 33.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 70.53 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -105.58 -47.92 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 73.3 110.888 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 p -109.76 173.63 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.912 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.9 147.83 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 75.05 111.168 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.4 tpp -100.63 120.59 40.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 73.42 110.857 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -107.18 -56.63 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 62.42 110.919 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.2 m -72.5 158.57 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 61.11 110.858 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.59 124.75 3.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.667 -0.778 . . . . 74.44 112.524 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -99.33 -30.52 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.354 . . . . 75.15 110.869 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.6 t -98.27 28.79 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 64.54 110.862 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -114.64 91.56 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 74.52 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.72 -42.18 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 71.41 110.93 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -52.35 147.86 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.943 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.85 -42.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 50.21 111.113 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -102.61 148.48 25.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 63.42 110.895 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 140.36 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.651 HD23 HG12 ' A' ' 12' ' ' ILE . 3.3 tm? -135.46 129.13 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.25 110.9 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' N ' HD13 ' A' ' 32' ' ' LEU . 48.2 tt0 -131.87 109.84 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.2 110.914 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -91.93 136.59 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.81 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -58.45 136.3 85.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.692 0.758 . . . . 71.31 110.902 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 124.75 11.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 72.51 112.364 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -98.33 -64.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.52 110.816 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 t -135.63 143.87 45.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 73.42 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -73.43 156.09 38.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 73.31 111.151 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 57.15 38.94 29.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 61.32 110.898 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -61.81 174.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.15 110.892 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.4 m -86.84 102.56 14.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 61.21 111.158 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -51.7 156.84 2.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 73.04 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 176.25 7.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.267 . . . . 75.43 112.336 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.64 145.66 54.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 70.02 110.86 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -58.38 130.24 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.05 110.943 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -131.39 126.1 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 72.42 110.882 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -114.87 -26.39 7.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 71.04 110.898 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -31.31 32.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 75.41 111.126 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.48 -161.0 25.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 61.42 112.478 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 p 53.78 33.44 16.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.902 0.382 . . . . 74.34 110.847 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -81.85 -30.37 32.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.901 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.36 -45.31 65.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 65.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.2 m -91.66 123.08 34.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 71.33 111.163 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -160.02 133.38 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 65.04 110.833 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 57.83 33.11 22.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 64.23 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -122.64 128.26 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 53.3 110.946 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.8 m -57.51 -34.3 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 72.51 111.082 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.22 136.04 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.904 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tp -116.91 126.79 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.878 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.0 m -95.63 165.63 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 64.02 110.853 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 35.4 m-85 -148.06 141.13 24.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 75.13 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -46.74 78.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.23 111.174 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -135.11 150.1 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.143 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -52.31 -38.01 57.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.888 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 77.7 mm-40 -53.41 -31.42 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 74.54 110.939 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.441 HD23 ' HD1' ' A' ' 62' ' ' PHE . 7.1 tp -77.72 -38.28 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 73.3 110.905 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.12 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.132 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.1 mp -51.79 -34.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.24 111.096 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -59.29 -33.21 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.4 111.118 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.468 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 9.7 t80 -75.41 -52.5 10.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 75.15 110.901 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.85 -51.19 70.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 42.51 111.109 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 69' ' ' ILE . 98.1 t -58.15 -31.97 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.137 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.68 -29.96 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.32 111.125 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -121.39 25.53 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.86 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt 51.94 33.13 11.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 64.5 110.887 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 8' ' ' VAL . 75.9 mt -82.73 137.18 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 65.24 111.128 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.49 106.99 4.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 61.41 110.876 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 69' ' ' ILE . 45.2 p90 -100.44 138.35 37.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.11 110.93 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -115.2 132.68 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 54.43 111.139 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.1 m -98.26 119.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 72.4 111.115 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.5 mt -109.26 122.9 48.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -123.83 135.42 53.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.844 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.09 126.7 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.85 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.43 72.61 0.83 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 74.41 110.879 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.38 69.06 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 73.43 112.363 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -153.44 135.01 14.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.6 m -65.59 122.67 17.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 63.12 111.198 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.443 HG22 ' HD3' ' A' ' 91' ' ' PRO . 37.8 mt -78.84 140.62 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.16 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 m -115.66 71.27 3.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 73.31 111.114 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.443 ' HD3' HG22 ' A' ' 89' ' ' ILE . 52.8 Cg_endo -69.71 94.44 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.709 2.273 . . . . 43.23 112.391 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -52.43 111.89 0.72 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 53.3 110.877 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.5 m -160.42 165.05 31.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 71.41 110.851 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -158.07 114.99 2.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 71.52 110.934 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.69 -178.14 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 63.22 111.029 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -147.88 175.97 10.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 75.34 110.834 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -151.97 106.8 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 64.24 110.835 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -100.38 120.57 40.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 71.22 110.911 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.1 p -76.07 170.94 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 55.24 111.137 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -165.78 71.75 1.28 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.538 0.685 . . . . 71.45 110.935 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 131.31 20.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.642 2.228 . . . . 75.41 112.31 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 179.26 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 65.23 110.918 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -87.65 153.1 21.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 71.41 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.2 tmm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 61.23 110.933 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.699 0.285 . . . . 74.25 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -126.53 157.42 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 72.45 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -120.89 158.06 28.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 65.12 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -161.47 137.01 7.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 74.55 110.97 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.98 141.6 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.25 111.111 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -65.79 101.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 71.42 110.821 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -135.14 158.16 45.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.822 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 77' ' ' ILE . 30.0 m -110.04 171.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 71.41 111.212 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -131.61 149.45 52.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.88 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.39 129.13 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 73.54 111.109 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -108.01 104.21 13.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 53.23 110.943 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.548 HG12 HD23 ' A' ' 32' ' ' LEU . 34.5 mt -97.69 121.95 48.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 65.14 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -118.6 137.97 52.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.877 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -108.52 89.63 6.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.529 0.68 . . . . 72.14 110.933 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 154.43 67.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 74.41 112.368 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.54 154.92 25.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 42.05 111.166 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 146.07 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 62.23 110.864 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 t -119.47 152.95 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.869 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.9 p -53.95 -43.9 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.1 111.162 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.6 ttt -102.72 104.2 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.887 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -83.04 -71.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.878 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m 57.5 34.36 24.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 44.21 110.862 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.46 -53.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 71.01 112.474 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 m80 56.85 50.23 12.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 75.22 110.833 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m -103.8 74.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.84 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -18.04 65.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 75.01 110.864 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 63' ' ' THR . 6.3 mp -52.03 -39.28 59.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 63.5 110.948 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -117.3 122.11 43.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.814 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.96 -29.95 5.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.22 111.105 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -111.79 151.31 29.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.916 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -108.28 144.74 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 52.31 110.93 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.562 HD13 ' N ' ' A' ' 33' ' ' GLU . 2.2 tm? -139.53 127.74 22.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 54.34 110.929 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.562 ' N ' HD13 ' A' ' 32' ' ' LEU . 7.1 tp10 -131.37 106.64 8.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 53.51 110.896 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -92.74 137.36 32.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.24 110.904 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -57.95 136.41 83.74 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.645 0.736 . . . . 74.34 110.902 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.72 33.59 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 71.2 112.357 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -171.64 177.91 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 34.01 110.814 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.61 169.17 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.508 . . . . 74.21 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t -171.58 164.65 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.189 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -77.78 -179.56 6.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 63.33 110.837 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -83.25 142.95 30.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 71.3 110.941 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.5 p -110.46 160.32 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 60.12 111.154 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -119.37 160.5 41.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 74.21 110.938 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 155.17 66.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 71.11 112.349 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.64 155.08 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.33 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -124.52 105.29 9.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 51.31 110.826 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.7 t30 54.95 36.12 26.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 73.24 110.85 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 3.5 t90 58.96 42.13 19.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 75.21 110.847 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.7 138.08 30.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.166 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.55 -74.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 73.2 112.43 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 p -125.48 -179.83 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 75.54 110.865 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -81.24 -178.91 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 71.1 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.1 169.38 2.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 71.33 110.824 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -78.14 89.96 4.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 33.53 111.149 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -149.84 165.81 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 53.1 110.954 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -158.82 128.07 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 74.22 110.926 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -136.14 161.81 34.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 61.41 110.947 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.57 -40.65 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 73.33 111.133 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.3 t -114.74 147.59 39.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.946 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.645 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.9 tp -118.14 125.62 50.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 63.11 110.907 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 p -99.14 161.99 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 65.14 110.818 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.645 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 32.2 m-85 -145.18 162.31 37.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 75.24 110.85 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -79.69 -46.93 16.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 74.15 111.199 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -134.39 161.36 35.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 64.12 111.084 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.703 ' O ' HD12 ' A' ' 69' ' ' ILE . 8.3 ptp180 -59.51 -39.43 83.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.853 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -51.68 -31.6 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.51 110.872 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.82 -38.05 62.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.934 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 51.31 111.08 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mp -51.97 -34.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.155 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.48 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 62.15 111.131 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 5.0 t80 -67.83 -50.23 57.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.892 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.41 11.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 63.23 111.127 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.9 t -51.66 -29.99 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 70.04 111.135 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.71 -29.92 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 70.14 111.159 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -124.79 26.03 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.867 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 51.8 45.67 27.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.53 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 8' ' ' VAL . 62.5 mt -95.5 140.97 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.05 111.13 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.36 104.5 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 61.23 110.808 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.499 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 49.4 p90 -100.1 136.36 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 64.01 111.002 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.5 t -115.79 123.73 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 61.02 111.131 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.3 m -96.66 119.29 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 62.13 111.126 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.4 tp -109.29 115.11 29.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 55.03 110.867 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -128.8 140.07 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.52 110.942 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -96.43 150.9 20.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.854 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 54.46 69.85 1.94 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 65.01 110.902 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 100.74 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.656 2.237 . . . . 74.0 112.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.67 153.46 30.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 73.42 110.894 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.1 p -116.97 165.84 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.1 111.185 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.472 HG22 ' HD3' ' A' ' 91' ' ' PRO . 40.8 mt -109.56 139.67 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.143 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.5 m -118.11 73.2 9.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.633 0.73 . . . . 72.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.472 ' HD3' HG22 ' A' ' 89' ' ' ILE . 53.8 Cg_endo -69.75 136.84 34.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 72.25 112.353 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 92.89 8.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 54.51 110.915 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.5 t -82.37 108.37 15.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.865 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -154.29 115.63 4.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 73.03 110.904 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.34 63.78 7.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.037 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -79.25 81.73 5.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 72.52 110.843 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -138.21 140.2 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.878 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -141.84 155.5 45.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 73.11 110.818 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 81.0 p -127.86 175.06 8.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 72.34 111.134 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.24 155.05 68.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 71.04 110.859 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 142.7 48.72 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.691 2.261 . . . . 45.13 112.358 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -88.09 -179.24 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 70.32 110.927 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -123.25 166.26 15.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 11.4 ttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 52.23 110.874 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.74 0.305 . . . . 71.44 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -62.67 107.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 62.41 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -121.83 88.87 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 64.2 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -71.42 130.01 40.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 74.41 110.908 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.25 144.51 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 75.15 111.072 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -130.69 56.76 1.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 33.31 110.849 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -139.91 165.18 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 75.01 110.871 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 m -104.55 163.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 72.45 111.091 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -141.77 158.53 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 62.41 110.85 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.26 130.18 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 53.34 111.126 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.5 mtm-85 -112.32 103.95 12.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 52.23 110.846 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.625 HG12 HD23 ' A' ' 32' ' ' LEU . 53.4 mt -100.96 134.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.52 111.185 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -137.17 133.19 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 43.03 110.868 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.53 153.05 61.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 64.0 110.862 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HG3' ' HB1' ' A' ' 29' ' ' ALA . 53.5 Cg_endo -69.78 -174.0 0.83 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.678 2.252 . . . . 61.44 112.376 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.83 132.16 48.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 63.33 111.109 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -78.17 70.18 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 64.45 110.903 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -162.4 159.34 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.835 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -110.19 139.19 45.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 63.41 111.128 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 mmt -129.18 -57.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.897 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -153.1 139.18 18.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 51.14 110.917 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -89.35 -72.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 72.32 110.848 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.64 -105.93 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 52.52 112.442 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -114.85 167.17 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 70.35 110.836 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t -113.14 43.96 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.845 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -113.93 51.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 74.25 110.925 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -145.79 141.42 27.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 60.35 110.914 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -65.61 122.48 17.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.882 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.512 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -114.75 -43.0 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.42 111.144 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -88.84 157.53 18.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 62.13 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -126.11 122.39 35.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.93 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 12' ' ' ILE . 3.3 tm? -116.92 131.77 56.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.919 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 32' ' ' LEU . 46.2 tt0 -140.31 113.91 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.864 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -94.21 148.74 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.09 136.37 84.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 63.31 110.853 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -171.62 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 52.14 112.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m 60.71 50.55 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 63.24 110.838 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.9 m -66.67 97.88 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.905 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -92.49 -26.13 18.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 74.45 111.119 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -80.16 -54.85 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 63.2 110.949 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -107.5 98.43 8.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 74.35 110.885 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -124.18 47.01 2.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.514 . . . . 53.31 111.139 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -125.12 160.52 54.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.717 . . . . 74.15 110.913 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.98 55.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.762 2.308 . . . . 75.33 112.291 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -107.46 -33.63 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.906 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 ptp -149.43 144.93 26.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.874 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.86 113.91 14.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.858 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -113.2 107.35 15.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.932 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p 46.41 59.69 3.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 71.32 111.119 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.87 143.13 3.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 54.14 112.509 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.8 p -86.93 130.67 34.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.371 . . . . 74.33 110.797 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.0 t60 53.42 39.63 30.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.54 110.817 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -113.91 102.29 10.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 71.51 110.907 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.0 t -139.26 172.07 13.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 32.31 111.148 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -124.6 117.0 23.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 73.02 110.894 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -125.3 155.72 39.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 62.23 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -141.89 136.48 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 72.5 110.845 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.9 m -54.31 -33.66 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 63.44 111.128 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.5 p -131.67 142.4 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.763 HD11 ' CE2' ' A' ' 62' ' ' PHE . 2.2 pp -137.87 172.47 12.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 54.24 110.914 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.515 ' N ' HD12 ' A' ' 60' ' ' LEU . 29.4 m -127.46 147.81 50.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.859 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.763 ' CE2' HD11 ' A' ' 60' ' ' LEU . 18.0 m-85 -123.33 165.85 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.902 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -82.73 -46.7 12.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.479 . . . . 60.53 111.142 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 p -133.74 159.04 41.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 74.13 111.155 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -58.11 -41.18 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 64.33 110.882 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 2.5 mt-10 -51.58 -30.45 20.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.916 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -78.53 -39.64 37.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.908 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 65.41 111.102 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mp -51.52 -34.86 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 70.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -52.82 -41.31 64.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 51.33 111.149 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.517 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 17.1 t80 -65.7 -53.54 39.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.54 110.934 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.22 -55.58 31.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 64.41 111.046 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 69' ' ' ILE . 91.6 t -52.34 -32.19 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 75.34 111.146 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.86 -33.47 36.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.22 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -123.48 24.72 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 74.44 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 51.92 34.5 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.881 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -79.46 140.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 74.44 111.142 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.08 104.09 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CE2' HG23 ' A' ' 69' ' ' ILE . 50.4 p90 -100.21 133.22 44.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.913 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.8 t -108.7 131.57 54.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 63.24 111.167 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 81' ' ' VAL . 17.3 m -94.82 121.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 72.15 111.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.0 mt -108.45 121.44 44.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.964 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -106.87 161.34 14.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.948 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.06 121.66 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 63.44 110.916 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -123.62 73.36 52.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.712 0.767 . . . . 61.4 110.89 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 178.82 4.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 65.12 112.323 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -83.99 122.41 28.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 71.02 110.873 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.6 m -123.04 116.67 23.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 70.24 111.156 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 39.0 pt -53.62 140.92 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.16 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.0 p -130.54 77.92 75.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 72.51 111.116 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 148.72 65.95 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 64.4 112.373 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -80.91 128.95 34.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 74.35 110.873 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 p -170.77 140.52 1.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 34.11 110.849 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -173.32 131.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 60.13 110.949 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.08 102.0 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.508 . . . . 71.21 111.028 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -69.6 104.65 2.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.835 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -125.94 99.05 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.872 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -114.05 143.65 44.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.898 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.9 m -140.2 133.12 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 63.41 111.178 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -158.4 157.6 29.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.528 0.68 . . . . 74.44 110.917 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 178.7 4.29 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.626 2.217 . . . . 71.12 112.365 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -147.84 150.5 34.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.885 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -91.3 161.76 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.922 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.719 0.295 . . . . 64.41 110.852 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -87.03 97.03 10.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 72.24 110.918 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -133.74 179.16 6.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.959 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -117.31 127.73 54.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.885 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 t -113.2 106.32 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 65.22 111.13 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -65.52 -72.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.816 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -60.69 139.43 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.51 110.87 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.662 HG12 ' OE2' ' A' ' 35' ' ' GLU . 6.5 m -57.52 -178.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 54.41 111.215 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.15 147.84 35.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.917 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.812 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -117.32 156.75 27.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 52.22 111.091 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -121.74 102.74 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.874 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.625 HD12 ' CD2' ' A' ' 79' ' ' TYR . 86.6 mt -97.54 125.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 70.03 111.086 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CE2' HD22 ' A' ' 82' ' ' LEU . 24.8 t80 -124.73 144.42 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 70.01 110.861 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -115.82 89.6 24.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 63.14 110.889 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 134.86 28.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.656 2.237 . . . . 73.45 112.35 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.61 165.6 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 53.11 111.062 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.24 41.08 2.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 74.22 110.873 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -96.69 35.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 71.43 110.818 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -93.33 142.51 27.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 73.22 111.127 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmm -111.07 -51.87 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.831 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.96 133.18 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 71.35 110.938 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m 59.64 31.8 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 73.13 110.841 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.33 137.11 38.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 62.54 112.427 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.14 171.57 14.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.343 . . . . 75.35 110.859 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -154.36 177.95 10.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 64.21 110.845 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.54 68.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.12 179.38 4.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 62.24 110.961 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 147.92 6.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 65.03 110.865 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.59 -33.29 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.101 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -102.82 157.7 16.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -120.56 145.27 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.911 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 34' ' ' PHE . 2.0 tm? -137.71 127.52 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.924 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.601 ' N ' HD22 ' A' ' 32' ' ' LEU . 40.4 mm-40 -130.49 101.46 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.15 110.95 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.824 ' CD2' HD11 ' A' ' 32' ' ' LEU . 5.4 m-85 -84.65 144.65 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 74.23 110.868 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.662 ' OE2' HG12 ' A' ' 8' ' ' VAL . 11.6 pt-20 -64.25 154.64 82.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 73.13 110.84 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.6 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 52.33 112.408 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -92.67 -41.75 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 53.42 110.819 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.6 m -136.5 178.55 6.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.906 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -114.31 -51.82 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 61.51 111.199 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -66.01 155.29 37.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -127.3 131.09 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.943 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.9 p -70.74 173.77 6.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 74.52 111.121 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.65 156.82 2.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.695 0.76 . . . . 75.33 110.903 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 102.01 0.98 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.682 2.255 . . . . 73.11 112.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 tp -146.69 122.73 10.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 75.41 110.961 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.7 mtp -149.94 158.0 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.882 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -73.97 -55.22 6.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 53.45 110.93 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -123.86 109.67 13.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 75.53 110.885 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 p -97.08 -64.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 65.14 111.079 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.65 -159.37 53.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 62.32 112.452 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -85.79 93.47 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 74.12 110.824 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -82.04 147.08 29.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 75.32 110.804 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -107.15 -50.28 3.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.932 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.0 p -125.1 155.04 40.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 74.22 111.088 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -66.73 120.41 13.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.845 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.81 102.99 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.95 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -123.56 -36.08 2.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.97 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.6 m -110.98 -27.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.32 111.115 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.2 p -112.99 123.89 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.892 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tp -126.38 131.44 51.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 75.33 110.892 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 p -100.2 158.72 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.85 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 46.9 m-85 -137.95 164.7 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 71.1 110.911 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -50.36 7.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 61.34 111.207 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -130.15 159.81 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 71.44 111.124 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 69' ' ' ILE . 12.0 ptm180 -58.24 -39.28 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.86 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 27.6 mt-10 -52.44 -30.03 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.877 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.439 HD23 ' HD1' ' A' ' 62' ' ' PHE . 4.5 tp -82.65 -37.04 25.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.55 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 111.125 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.586 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 4.5 mp -52.43 -34.13 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -56.06 -31.39 63.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 65.41 111.15 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.51 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -73.35 -53.09 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.928 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.03 -55.14 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 73.52 111.098 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -54.26 -27.99 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.21 111.144 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.04 -34.67 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 61.25 111.097 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -126.94 27.5 5.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 75.11 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 51.84 40.6 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.465 HG21 ' HE1' ' A' ' 34' ' ' PHE . 59.5 mt -83.59 137.34 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 55.54 111.144 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.24 97.95 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.943 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.625 ' CD2' HD12 ' A' ' 12' ' ' ILE . 54.8 p90 -99.87 139.13 35.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.888 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -104.21 130.93 51.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 74.35 111.123 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.11 116.22 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 53.43 111.175 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.486 HD22 ' CE2' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -109.38 111.54 23.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 64.13 110.85 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -129.34 165.09 22.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -102.39 133.98 46.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.51 110.888 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 61.89 70.63 0.83 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 61.44 110.838 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 119.05 6.06 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 64.35 112.307 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -171.54 114.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 72.42 110.928 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.5 t -130.67 134.34 46.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.118 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 1.0 HG22 HG23 ' A' ' 90' ' ' VAL . 5.1 mp -94.52 141.5 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.11 111.138 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 1.0 HG23 HG22 ' A' ' 89' ' ' ILE . 22.1 t 54.49 70.86 1.5 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 74.04 111.102 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.27 69.45 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.721 2.281 . . . . 74.34 112.345 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -130.75 102.78 6.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 72.03 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -102.43 144.81 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.25 110.898 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -174.72 115.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.929 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.34 165.57 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 74.31 111.097 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -97.61 167.25 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.884 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -101.86 139.37 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 53.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -80.53 139.02 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.22 110.807 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 t -172.82 133.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.13 111.108 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 55.51 70.93 1.38 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.731 . . . . 72.13 110.922 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 124.39 11.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 73.1 112.324 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -54.69 104.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 63.31 110.846 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -147.76 140.07 24.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 75.51 110.911 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 70.1 mtm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.842 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.72 0.295 . . . . 64.5 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -151.11 141.55 22.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 73.12 110.934 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -169.72 113.97 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 62.41 110.856 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -55.58 114.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.2 p -131.84 129.1 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.22 111.179 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -104.27 -29.86 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.87 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -86.8 -175.7 5.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.925 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 37' ' ' SER . 28.0 m -111.4 179.63 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 63.52 111.134 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -141.53 155.32 45.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.897 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -103.57 118.99 38.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 64.35 111.106 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.6 ttm-85 -97.2 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 45.35 110.891 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.66 HG12 HD23 ' A' ' 32' ' ' LEU . 61.2 mt -105.46 136.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 64.22 111.067 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -165.08 149.66 9.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.936 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -108.43 89.91 6.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.488 0.661 . . . . 64.43 110.893 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -179.81 3.17 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.635 2.223 . . . . 53.22 112.357 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 165.24 20.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 74.4 111.106 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -71.58 179.07 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.33 110.939 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -146.15 174.56 11.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.435 . . . . 63.5 110.796 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.6 p -86.14 165.2 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 72.51 111.096 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.7 mtt 58.08 43.42 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.95 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -105.8 152.4 23.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 70.34 110.943 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.7 44.5 11.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.914 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.02 -95.88 2.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 21.43 112.503 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -127.4 34.73 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 74.02 110.808 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -131.59 169.89 15.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 70.35 110.913 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -58.32 156.12 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.847 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.26 132.72 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.887 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -141.81 123.72 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.83 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -117.33 -31.76 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 62.12 111.059 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -118.55 154.44 32.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 74.03 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -113.01 139.96 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 72.21 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.66 HD23 HG12 ' A' ' 12' ' ' ILE . 2.5 tm? -135.25 124.93 25.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 72.3 110.891 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.51 ' N ' HD22 ' A' ' 32' ' ' LEU . 24.8 mt-10 -128.87 104.61 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.848 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 58' ' ' VAL . 52.4 p90 -89.43 138.21 31.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 62.21 110.855 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.81 160.19 74.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 63.41 110.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 131.27 20.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.752 2.302 . . . . 74.41 112.338 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.431 ' HB3' HG11 ' A' ' 8' ' ' VAL . 3.5 p -110.16 170.96 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.13 110.859 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.5 m -90.34 67.91 6.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 65.44 110.887 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 p -74.38 171.49 13.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.093 -0.503 . . . . 71.22 111.148 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -124.87 35.72 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.966 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 62.55 36.45 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.944 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 m -123.9 70.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 65.12 111.126 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -126.78 72.17 74.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 73.13 110.916 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 146.55 60.76 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.665 2.243 . . . . 52.13 112.378 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' H ' HD23 ' A' ' 45' ' ' LEU . 1.1 pt? -118.23 -175.1 2.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 65.03 110.901 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttp -126.07 -62.1 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.86 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -62.4 175.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -100.66 155.49 17.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.921 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.6 p -82.63 158.49 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 23.54 111.112 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.79 -143.44 14.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 73.15 112.499 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -123.87 100.16 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 54.2 110.867 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -145.34 161.63 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 62.11 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -77.5 -64.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.897 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.4 t -158.25 149.01 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 71.53 111.2 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -153.1 124.31 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 71.22 110.898 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -63.44 133.38 53.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 64.02 110.947 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -84.39 -38.26 20.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 70.14 110.915 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 34' ' ' PHE . 38.7 t -52.23 -31.29 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.23 111.134 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.7 t -117.85 133.83 55.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 64.24 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -150.61 171.42 17.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 64.21 110.944 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 132.04 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.886 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.64 ' CE1' HD12 ' A' ' 67' ' ' LEU . 22.8 m-85 -105.49 147.93 27.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.1 m -60.7 -52.39 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.086 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.45 173.09 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 70.12 111.127 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.4 tmm_? -70.74 -50.54 35.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.842 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -51.91 -33.0 35.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 74.51 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.64 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -55.58 -45.42 77.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 70.53 110.874 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -59.04 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 111.125 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mp -52.94 -40.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 61.33 111.128 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.29 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.13 111.088 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.457 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.4 t80 -80.74 -53.44 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.918 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -60.66 -55.02 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 52.12 111.118 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.64 -31.32 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 61.54 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.78 -30.71 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 51.12 111.093 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -126.93 25.25 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.827 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 51.8 58.7 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.881 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.476 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 70.3 mt -106.9 143.38 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.156 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.29 100.41 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.84 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 53.1 p90 -99.97 130.95 46.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 65.01 110.935 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -113.1 120.9 42.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.169 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.9 m -94.08 119.93 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 70.03 111.158 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -109.5 108.37 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 63.41 110.94 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -117.1 157.69 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 65.34 110.913 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -99.1 145.24 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.834 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.6 t30 56.43 68.62 2.13 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.635 0.731 . . . . 64.11 110.896 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.98 69.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 65.31 112.35 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -77.39 152.77 34.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.3 m -141.63 127.81 19.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 73.43 111.105 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 46.6 pt -104.26 152.38 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 71.24 111.156 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.422 HG23 ' HD2' ' A' ' 91' ' ' PRO . 7.3 p -66.22 133.28 94.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.636 0.731 . . . . 72.54 111.123 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 90' ' ' VAL . 53.8 Cg_endo -69.85 147.62 62.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 74.14 112.389 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -82.28 135.73 35.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.868 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p -130.48 132.3 45.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.775 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -166.23 115.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 75.21 110.925 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.53 158.58 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 72.25 111.109 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.33 -178.45 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.414 . . . . 60.25 110.824 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -104.98 177.34 4.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.891 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -151.38 176.6 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 62.35 110.928 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.9 t -172.06 138.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 73.2 111.166 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.01 160.04 66.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.675 . . . . 71.12 110.871 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 137.91 36.87 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.244 . . . . 71.24 112.393 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.27 71.88 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.865 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -174.64 136.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.847 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.2 ttp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.85 -179.933 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.659 0.266 . . . . 44.11 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -131.92 -50.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 74.03 110.901 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -96.48 95.76 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.874 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -97.91 135.14 40.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 44.1 110.948 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -134.05 -178.57 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.54 111.108 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -131.71 49.91 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -157.62 153.55 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 65.04 110.892 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -120.92 176.27 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 54.03 111.132 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -139.3 151.18 46.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 75.05 110.871 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.47 135.38 44.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.11 111.109 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -109.66 103.09 11.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.847 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.691 HG12 HD23 ' A' ' 32' ' ' LEU . 61.6 mt -101.97 139.61 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.183 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CD1' HD23 ' A' ' 82' ' ' LEU . 9.2 t80 -140.57 130.13 24.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.938 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -77.15 153.03 82.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 73.53 110.891 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 158.86 55.5 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.705 2.27 . . . . 74.22 112.283 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.27 140.15 30.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 74.13 111.157 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -77.18 121.64 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 64.42 110.956 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -105.01 160.07 15.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.909 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.0 m -78.63 80.11 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 65.43 111.129 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.8 mtt 52.25 42.91 31.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 53.22 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -117.1 61.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 53.31 110.858 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 m -101.25 169.39 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.66 -167.56 19.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.795 -0.717 . . . . 73.15 112.485 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -96.93 -45.13 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 73.12 110.917 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.1 m -116.6 81.88 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.842 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -110.9 77.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 73.34 110.878 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.63 -73.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 71.45 110.951 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -66.24 129.3 39.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 54.01 110.885 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -120.13 -38.19 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 72.42 111.094 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -99.53 160.35 14.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.903 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -110.97 140.93 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD23 HG12 ' A' ' 12' ' ' ILE . 3.4 tm? -139.88 128.61 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.87 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.58 107.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 61.32 110.899 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -92.91 138.66 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.858 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.48 160.19 26.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 74.31 110.906 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 131.21 20.77 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.729 2.286 . . . . 72.52 112.304 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 p -92.94 -68.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 72.12 110.866 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.7 t -124.59 134.77 52.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 65.44 110.825 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -86.09 94.88 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 73.11 111.122 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -162.32 129.47 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.885 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -61.25 143.44 55.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.35 110.931 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.9 p -128.16 153.27 47.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 73.12 111.183 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -81.91 160.5 63.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 62.43 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 156.48 63.28 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 61.43 112.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 45' ' ' LEU . 9.5 tt -126.65 -55.16 1.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.946 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.1 mmm -65.41 155.36 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.888 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -86.56 98.62 11.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 62.52 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -88.2 157.87 18.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 61.12 110.838 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.2 p -93.2 -35.14 13.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.145 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.65 -138.17 0.85 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 74.53 112.508 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m -62.82 172.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 65.25 110.893 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -112.14 34.62 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.949 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -144.58 132.89 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 70.22 110.846 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 p -150.09 170.4 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 71.11 111.151 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.49 144.04 44.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 73.3 110.876 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -60.11 138.01 57.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.952 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -112.19 156.79 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 64.42 110.939 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 m -112.98 -29.16 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 71.22 111.122 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.4 m -96.72 118.79 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 65.41 110.865 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.22 176.72 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.922 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.3 m -129.01 159.57 35.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.858 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 67' ' ' LEU . 10.8 m-85 -139.77 156.24 46.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 71.05 110.937 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.513 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -54.99 -56.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 75.55 111.205 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 p -135.01 176.02 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 75.44 111.135 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.729 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -64.51 -40.49 95.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 62.41 110.9 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -51.98 -30.44 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.88 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.51 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -71.66 -37.36 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.935 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.551 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -69.25 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.132 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -54.62 -34.77 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.51 111.089 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.14 71.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.13 111.076 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 13.0 t80 -76.38 -53.64 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.33 110.957 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -53.76 54.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 73.02 111.167 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 69' ' ' ILE . 89.6 t -57.14 -30.63 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.075 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.1 -30.26 25.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.52 111.049 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.72 26.41 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 53.36 12.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 65.33 110.911 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -104.87 142.73 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 71.55 111.121 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.7 107.0 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 65.32 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 52.4 p90 -100.8 136.83 40.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.931 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.52 122.66 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 74.24 111.169 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.07 129.26 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 61.14 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 13' ' ' TYR . 65.6 tp -105.21 130.47 53.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 74.45 110.911 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -130.11 109.35 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.872 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -91.57 142.32 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 53.12 110.837 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 53.21 69.33 2.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 71.43 110.885 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.97 13.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.285 . . . . 64.11 112.368 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.9 tpt85 -89.66 135.73 33.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 71.02 110.827 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.1 m -88.31 109.39 19.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 74.33 111.147 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.6 pt -67.06 146.58 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 73.42 111.102 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.427 HG23 ' HD2' ' A' ' 91' ' ' PRO . 7.3 p -123.91 133.16 24.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.717 . . . . 71.42 111.124 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 90' ' ' VAL . 53.8 Cg_endo -69.67 125.25 11.97 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.737 2.291 . . . . 64.02 112.331 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 177.68 3.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 52.15 110.899 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -140.62 -179.83 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 63.22 110.9 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -168.81 131.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 73.55 110.907 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.95 -33.5 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 62.23 111.098 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 41.84 39.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.927 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -87.1 159.03 19.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.856 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.76 176.64 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 60.41 110.887 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.3 p -109.3 42.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 73.42 111.17 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.4 tptt 58.58 71.26 1.02 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 71.31 110.915 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 128.14 15.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 64.32 112.336 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -96.41 145.78 25.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 62.11 110.852 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -138.42 146.39 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 62.22 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 29.4 mtm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.848 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.731 0.301 . . . . 53.54 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -93.79 53.02 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 73.01 110.91 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -126.54 116.35 20.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.914 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -91.5 117.47 29.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.894 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 m -113.03 44.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.12 111.112 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -91.69 -53.66 4.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 35.22 110.864 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -111.93 137.15 50.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 54.11 110.88 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 m -59.9 175.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 63.23 111.088 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -136.26 152.73 51.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -101.98 119.05 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.51 111.094 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -97.43 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.804 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.588 HG12 HD23 ' A' ' 32' ' ' LEU . 61.3 mt -105.04 131.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.111 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -150.22 148.97 29.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 73.41 110.981 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -108.89 89.97 7.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.565 0.697 . . . . 74.14 110.897 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 157.78 59.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.627 2.218 . . . . 71.12 112.268 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.49 156.24 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.24 111.116 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -84.29 -38.36 20.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 71.43 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.1 m -150.25 137.19 19.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.777 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 p -133.17 -66.95 0.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 75.04 111.111 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.08 -74.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.85 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -133.39 176.72 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 63.51 110.905 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 m -53.34 124.67 15.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 64.14 110.864 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.45 157.71 18.21 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.778 -0.725 . . . . 62.35 112.469 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -146.3 -179.69 6.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.349 . . . . 73.22 110.839 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m 55.09 35.35 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 62.44 110.901 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.61 96.63 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.938 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.4 mt -93.3 -36.83 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 74.22 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 157.15 23.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 71.41 110.935 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.31 -37.56 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 74.45 111.131 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -102.3 147.1 27.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.884 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -115.34 136.11 53.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 64.43 110.973 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -125.63 127.97 47.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 74.02 110.934 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.484 ' N ' HD22 ' A' ' 32' ' ' LEU . 5.5 tp10 -132.13 104.13 6.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.861 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -85.53 138.6 32.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.886 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.91 160.17 75.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 72.42 110.818 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 158.28 57.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 70.41 112.273 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.7 p -119.89 161.39 20.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 74.23 110.879 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.9 m -115.25 146.43 41.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 65.25 110.914 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 p 49.87 36.58 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.1 111.145 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -143.56 146.3 33.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 61.13 110.921 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -73.55 170.3 15.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.918 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 p -96.69 11.74 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 61.23 111.172 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -177.3 70.7 0.23 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.679 0.752 . . . . 73.4 110.848 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -18.78 36.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 64.22 112.383 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -148.79 135.26 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 mtp -102.17 96.03 6.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.852 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -107.87 -34.9 6.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 60.5 110.822 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -79.43 86.32 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.44 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.1 140.2 58.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 74.23 111.135 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.67 95.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 65.24 112.487 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.8 m -56.66 126.49 26.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 63.51 110.882 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -112.59 176.38 5.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.83 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.96 -179.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.9 p -95.59 44.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 72.3 111.166 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -117.39 138.08 52.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 60.54 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -88.79 86.19 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 70.31 110.896 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -89.12 134.45 34.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.89 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.05 -28.59 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.51 111.058 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 57.4 m -83.75 129.82 34.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 55.44 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.559 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.5 tp -116.98 125.5 51.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.947 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.7 p -92.78 157.9 16.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.821 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 27.7 m-85 -141.89 141.32 33.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 74.03 110.894 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -41.03 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.16 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -136.29 149.15 48.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.153 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.697 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -54.32 -41.38 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 55.23 110.877 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 11.8 pt-20 -51.53 -31.53 24.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.907 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.32 -37.52 32.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.912 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -63.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 42.03 111.093 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -53.88 -34.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 72.45 111.097 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -58.76 -22.9 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 73.24 111.137 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -80.07 -48.74 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.987 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -53.36 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 71.11 111.092 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -51.6 -30.23 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.45 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.43 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 72.4 111.066 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -125.94 24.77 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.781 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.67 39.52 25.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 74.23 110.944 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.56 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 53.2 111.107 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -71.12 102.45 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 61.1 110.909 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' A' ' 69' ' ' ILE . 49.7 p90 -100.04 137.37 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 61.45 110.915 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.85 122.05 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.31 111.167 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.0 t -96.5 123.85 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 71.33 111.097 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp -109.35 114.38 28.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.962 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -98.34 150.21 21.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 73.51 110.839 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.43 121.71 41.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 60.38 70.81 0.94 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 73.11 110.818 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -178.84 2.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.636 2.224 . . . . 73.33 112.362 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -162.03 149.23 14.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 63.02 110.847 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -53.04 115.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.2 111.14 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.5 178.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 62.34 111.149 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 90' ' ' VAL . 3.9 p -177.35 77.98 0.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 62.3 111.116 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -176.89 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.679 2.253 . . . . 74.13 112.311 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -162.16 125.52 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 65.13 110.954 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.4 t -133.97 -179.8 5.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 62.45 110.895 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -153.81 112.03 3.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.5 110.984 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.7 146.66 30.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 75.52 111.094 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -144.98 148.72 34.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.852 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -100.12 62.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.816 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -83.66 92.11 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 73.3 110.883 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.95 118.27 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 73.11 111.164 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -119.49 69.41 11.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 72.11 110.872 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 112.95 3.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 64.13 112.301 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 87.77 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.854 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -167.53 159.03 11.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.886 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.9 ttt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.907 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 tpp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.705 0.288 . . . . 44.31 110.815 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -107.01 162.73 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.22 177.51 7.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.894 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -78.95 151.34 31.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 61.4 110.941 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -146.49 134.67 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 71.05 111.143 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -107.11 -44.03 4.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 31.44 110.838 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -78.41 144.03 36.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 75.03 110.935 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 77' ' ' ILE . 33.5 m -74.47 -175.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 34.42 111.104 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -132.94 144.16 49.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.794 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.21 120.22 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 55.33 111.08 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -99.77 102.59 14.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 70.11 110.901 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.574 HG12 HD23 ' A' ' 32' ' ' LEU . 57.1 mt -103.02 129.74 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 54.24 111.16 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -147.11 149.06 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.926 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -116.97 90.39 32.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.543 0.687 . . . . 64.13 110.913 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.7 Cg_endo -69.74 169.15 19.57 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 72.34 112.376 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.97 154.22 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 75.4 111.148 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -80.31 142.07 34.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 70.31 110.891 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -153.55 151.05 29.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 51.2 110.909 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -129.79 73.82 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 73.42 111.12 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.8 ttt -70.55 -51.19 30.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 70.3 110.81 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -149.04 145.98 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.405 . . . . 75.22 110.951 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -148.64 166.49 28.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 51.21 110.887 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.89 101.56 0.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 55.11 112.443 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.0 t60 61.53 35.32 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 73.21 110.845 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -123.83 158.55 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 64.22 110.844 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -82.21 143.53 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 54.54 110.844 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 mt -88.84 154.23 20.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.894 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.83 143.7 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.89 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.36 -37.08 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 53.24 111.092 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -110.17 151.54 27.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.938 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.92 143.27 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.33 110.894 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.775 HD12 HD21 ' A' ' 60' ' ' LEU . 3.0 tm? -129.28 131.6 47.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 74.03 110.959 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.484 ' H ' HD22 ' A' ' 32' ' ' LEU . 4.8 tp10 -138.4 104.43 5.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 62.5 110.849 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -84.42 141.37 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.864 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -105.52 97.76 15.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 64.01 110.936 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 145.3 56.68 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.711 2.274 . . . . 75.51 112.303 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.7 t -75.19 -47.13 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.4 p -127.65 162.61 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 65.52 110.858 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 t -120.46 155.52 33.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 60.22 111.193 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -156.33 158.95 38.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 54.52 110.917 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -61.15 133.11 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.881 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.1 p -67.1 121.72 16.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 73.22 111.176 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -63.16 160.55 38.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.733 0.777 . . . . 75.33 110.833 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -22.0 32.81 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.7 2.267 . . . . 73.33 112.362 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.7 mp -86.66 106.91 17.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 63.4 110.915 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.0 mtp -131.92 171.1 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 65.4 110.899 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -64.77 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 60.23 110.943 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -155.07 153.98 31.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 70.33 110.982 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p 46.7 73.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 75.32 111.152 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.5 29.09 0.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 72.45 112.449 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -75.02 -51.57 13.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 75.42 110.815 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -140.55 114.6 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.836 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -163.04 111.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 62.41 110.878 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -60.67 -42.4 96.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.4 111.151 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 164.53 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.896 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -135.29 118.02 16.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.31 110.984 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.59 108.0 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.931 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.8 m -114.47 -30.51 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 74.25 111.18 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.5 p -123.03 154.9 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 53.22 110.87 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.775 HD21 HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -148.17 168.82 21.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 62.33 110.885 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.6 p -116.58 167.77 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 53.24 110.848 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.458 ' CZ ' HD11 ' A' ' 60' ' ' LEU . 34.7 m-85 -144.04 129.89 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 m -56.16 -45.56 79.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 74.25 111.101 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.75 146.69 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.25 111.199 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -52.96 -40.99 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.885 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.5 mm-40 -52.72 -31.29 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 60.14 110.857 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD23 ' HD1' ' A' ' 62' ' ' PHE . 7.1 tp -75.51 -38.67 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.856 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.52 -64.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 54.44 111.08 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -52.41 -34.66 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 43.11 111.118 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -55.39 -26.07 39.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.12 111.072 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.473 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 38.0 t80 -77.99 -54.44 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 64.25 110.957 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 61.31 111.148 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -52.45 -30.92 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.126 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -56.65 -25.43 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.125 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -126.63 23.98 6.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 61.53 110.853 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? 51.96 38.67 24.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 54.31 110.843 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' VAL . 61.9 mt -88.86 140.24 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 71.31 111.129 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.24 104.8 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.878 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.459 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.6 p90 -99.93 133.12 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.959 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -112.63 125.3 54.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 63.32 111.099 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.6 m -98.03 123.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 72.24 111.124 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp -109.46 114.42 28.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.952 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -125.81 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 64.33 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -51.96 169.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 65.34 110.905 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -56.08 160.6 4.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.677 0.751 . . . . 63.43 110.899 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.73 45.89 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.686 2.257 . . . . 74.23 112.327 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -82.55 149.48 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 61.45 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.1 p -74.33 106.29 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 61.44 111.092 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.3 pt -78.12 171.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 53.33 111.065 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 m -149.78 69.56 9.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.606 0.717 . . . . 74.32 111.137 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.84 23.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 72.42 112.348 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -126.48 139.76 52.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.896 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.3 m -88.72 151.67 22.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 62.45 110.878 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -165.38 121.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 55.21 110.906 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.01 145.42 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 72.34 111.087 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -114.61 158.92 21.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.937 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -67.73 111.2 4.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.85 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -58.14 160.14 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 75.4 110.917 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.6 p -134.26 131.86 38.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 75.31 111.126 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -51.64 156.99 2.02 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.531 0.682 . . . . 73.52 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -178.53 2.41 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 72.11 112.341 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -61.3 132.19 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 64.54 110.839 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.58 60.93 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.913 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 64.15 110.88 -179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.849 0.357 . . . . 72.33 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.93 135.23 45.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 64.04 111.103 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -112.04 104.85 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 75.15 110.878 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.596 HG12 HD23 ' A' ' 32' ' ' LEU . 77.2 mt -105.21 135.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.13 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.1 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.88 -179.932 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.8 m95 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.884 0.373 . . . . 72.53 110.886 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -119.83 146.23 45.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.596 HD23 HG12 ' A' ' 12' ' ' ILE . 3.4 tm? -134.73 136.66 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.918 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.546 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -148.36 106.63 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.909 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -97.13 140.76 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.641 0.734 . . . . 73.12 110.873 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.799 0.333 . . . . 75.2 110.913 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 119.03 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 52.43 110.828 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.455 ' HD1' HD23 ' A' ' 67' ' ' LEU . 81.3 m-85 -111.81 164.04 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 53.54 110.869 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 m -100.16 -43.96 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 61.53 111.118 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.43 139.78 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 72.13 111.13 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.67 -38.14 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 74.55 110.89 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 36.2 mt-10 -52.64 -32.25 41.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.879 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.455 HD23 ' HD1' ' A' ' 62' ' ' PHE . 5.5 tp -79.9 -37.36 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.93 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.97 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 65.43 111.137 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.1 mp -51.74 -34.36 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.142 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -54.0 -36.42 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.055 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -63.56 -54.9 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 64.52 110.949 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.89 -53.64 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 61.1 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 69' ' ' ILE . 99.3 t -51.44 -30.84 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 43.11 111.129 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.0 -34.42 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.55 111.059 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -126.63 24.51 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt 51.94 40.16 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.7 mt -83.18 140.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 63.15 111.142 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.29 102.88 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.897 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -100.51 134.84 42.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 70.14 110.894 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -110.15 136.91 48.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 62.15 111.158 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.6 m -100.57 122.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.2 111.159 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.1 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 51.23 110.872 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.853 0.359 . . . . 54.3 110.909 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.837 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -104.75 129.14 53.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 51.52 111.08 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -109.02 102.89 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 71.34 110.85 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.648 ' CG1' HD23 ' A' ' 32' ' ' LEU . 45.4 mt -93.6 140.0 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.159 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.894 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.5 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.825 0.345 . . . . 71.44 110.92 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.2 131.98 56.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 71.13 110.9 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.837 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.4 tm? -136.35 123.15 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.011 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.512 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -125.89 113.04 16.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.35 110.888 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -105.48 140.06 39.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.917 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 71.34 110.843 -179.865 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 62' ' ' PHE . 1.3 pp . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.763 0.316 . . . . 64.42 110.927 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.403 ' N ' HD12 ' A' ' 60' ' ' LEU . 14.8 m -117.13 135.1 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 70.5 110.797 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.736 ' CE2' HD11 ' A' ' 60' ' ' LEU . 9.3 m-85 -111.64 158.14 19.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 74.13 110.835 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.33 -49.11 65.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 71.31 111.107 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.02 161.86 31.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 61.25 111.166 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.726 ' O ' HD12 ' A' ' 69' ' ' ILE . 2.3 ptt180 -57.21 -47.39 81.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.868 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.95 -32.53 33.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.04 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.722 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -62.53 -39.1 92.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 51.33 110.903 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -58.1 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.726 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.3 mp -55.47 -34.2 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 63.12 111.163 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.88 67.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 40.11 111.118 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -78.14 -47.56 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.12 110.917 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -66.81 -56.74 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.52 111.091 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 69' ' ' ILE . 92.6 t -51.86 -33.95 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 61.01 111.105 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -31.84 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 44.42 111.073 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -116.5 22.85 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt 51.75 50.29 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.439 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 62.2 mt -103.41 139.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 74.52 111.14 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.32 102.17 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.88 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.549 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 54.8 p90 -99.97 131.32 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.91 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -114.27 124.93 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 72.53 111.154 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.08 122.35 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.046 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.906 179.903 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.809 0.337 . . . . 72.34 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.71 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -108.75 124.58 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 54.44 111.138 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -99.56 102.81 14.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.876 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.682 HG12 HD23 ' A' ' 32' ' ' LEU . 55.2 mt -95.89 139.24 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 75.41 111.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 64.42 110.953 -179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.1 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.853 0.359 . . . . 73.53 110.909 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -118.51 149.79 40.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.71 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.4 tm? -148.19 130.18 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.955 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.413 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -130.67 106.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 71.4 110.932 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -90.25 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 71.22 110.891 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 74.53 110.887 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 tp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.773 0.32 . . . . 72.54 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.1 p -94.29 149.02 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.864 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -135.41 156.12 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.863 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -52.22 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 62.14 111.149 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.4 p -144.21 176.27 9.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 71.13 111.135 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -65.87 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.826 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -49.77 -48.88 50.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -42.63 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.884 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -54.37 -49.89 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.1 111.077 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.7 mp -75.34 -34.91 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.123 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.16 -25.84 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 70.05 111.117 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 10.8 t80 -81.46 -53.13 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.977 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.69 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 72.12 111.094 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 69' ' ' ILE . 87.9 t -62.83 -31.22 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 74.43 111.14 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.58 -30.1 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.51 111.083 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.01 24.74 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 54.21 110.832 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.16 51.59 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 65.23 110.854 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.2 mt -104.16 138.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.43 111.071 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.47 105.36 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 71.01 110.876 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' ' 69' ' ' ILE . 38.8 p90 -100.14 140.98 33.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.893 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.8 t -123.97 122.9 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 71.11 111.153 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.1 123.99 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.861 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.911 0.386 . . . . 73.41 110.821 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.36 125.17 48.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.43 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -104.49 102.65 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 71.2 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 32' ' ' LEU . 43.6 mt -98.6 135.76 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 74.42 111.117 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.59 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 2.4 m-85 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 52.14 110.951 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.9 m95 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.847 0.356 . . . . 64.32 110.902 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -108.41 147.22 31.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.905 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 33' ' ' GLU . 3.4 tm? -144.01 139.59 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.931 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.654 ' N ' HD13 ' A' ' 32' ' ' LEU . 13.0 tm-20 -151.62 109.02 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 52.34 110.876 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -88.71 137.84 31.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.871 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.605 0.717 . . . . 64.31 110.901 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.872 0.368 . . . . 53.21 110.944 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -143.16 130.68 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.898 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -116.78 160.91 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 20.2 m -79.36 -56.33 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.45 111.123 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p -117.79 152.57 35.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 62.11 111.116 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.643 ' O ' HD12 ' A' ' 69' ' ' ILE . 3.1 ptp85 -51.78 -47.97 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.77 -30.41 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 75.04 110.907 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.87 -41.83 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 50.35 110.861 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -62.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 75.35 111.084 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.0 mp -53.69 -34.52 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.17 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.16 -24.74 60.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 71.22 111.053 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 7.5 t80 -79.12 -60.27 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 74.32 110.882 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.0 -51.84 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 61.53 111.122 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 69' ' ' ILE . 83.6 t -56.06 -32.3 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.51 111.181 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.33 -30.06 26.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 51.41 111.041 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -123.25 24.52 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 73.31 110.806 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.84 53.26 12.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 45.02 110.9 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -105.99 143.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 63.34 111.102 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.3 108.73 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.879 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CE2' HG23 ' A' ' 69' ' ' ILE . 49.7 p90 -104.07 136.18 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.911 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 80' ' ' THR . 5.5 t -126.29 121.67 33.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 61.33 111.133 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.3 m -95.62 126.89 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.5 111.107 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 13' ' ' TYR . 2.2 tp . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 70.14 110.892 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? . . . . . 0 CA--C 1.527 0.082 0 CA-C-O 120.76 0.314 . . . . 73.15 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.898 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -107.0 127.0 53.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 52.22 111.05 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -105.72 103.77 13.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.614 ' CG1' HD23 ' A' ' 32' ' ' LEU . 81.4 mt -94.64 126.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.25 111.177 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.924 -179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.7 m95 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.785 0.326 . . . . 74.31 110.943 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -112.48 148.43 34.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.873 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.898 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -150.0 128.68 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.912 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.495 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -132.33 114.98 15.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.33 110.877 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.26 141.26 32.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 54.11 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.253 0 CA-C-O 121.682 0.753 . . . . 52.15 110.823 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.841 0.353 . . . . 74.14 110.917 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.4 127.38 45.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.14 158.68 18.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.828 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.492 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -84.14 -47.86 10.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 61.45 111.176 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.41 160.57 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 71.1 111.195 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 69' ' ' ILE . 4.8 ttt180 -54.55 -56.02 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 74.42 110.862 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.95 -36.55 49.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.872 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 63' ' ' THR . 4.0 tp -57.0 -42.78 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 51.01 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.75 -64.43 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 64.43 111.16 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.3 mp -52.3 -35.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 62.13 111.097 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.0 -27.07 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 50.6 t80 -79.11 -53.5 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.51 110.925 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -58.23 -54.98 40.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 63.41 111.061 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.94 -33.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.31 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.71 -30.08 20.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 61.44 111.077 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -126.84 25.0 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 70.1 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt 51.89 47.03 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 50.13 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.434 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 44.9 mt -93.34 140.7 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 72.12 111.104 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.12 101.25 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.04 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 69' ' ' ILE . 52.5 p90 -99.69 130.17 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.954 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -113.53 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 50.12 111.13 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.71 122.13 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 51.51 111.148 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 tp . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 53.24 110.888 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.769 0.318 . . . . 73.54 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -103.1 131.64 49.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.127 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -109.45 102.97 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.644 ' CG1' HD23 ' A' ' 32' ' ' LEU . 51.2 mt -96.42 135.66 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.177 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.8 t80 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.876 -179.914 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.4 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.848 0.356 . . . . 75.43 110.934 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -119.2 151.6 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.1 tm? -151.17 131.25 13.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.436 ' H ' HD22 ' A' ' 32' ' ' LEU . 4.0 tp10 -134.0 109.88 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.892 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -90.07 141.33 28.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 71.31 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.714 0.769 . . . . 73.31 110.823 -179.903 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.887 0.375 . . . . 73.12 110.921 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.05 133.06 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.914 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.671 ' CD1' HD12 ' A' ' 67' ' ' LEU . 48.9 m-85 -121.0 156.31 32.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 64.12 110.903 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.3 m -78.24 -49.84 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.52 111.126 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 172.68 7.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 71.14 111.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 69' ' ' ILE . 6.1 ttt180 -71.59 -49.39 40.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 71.53 110.847 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -52.37 -29.46 24.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.89 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.671 HD12 ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -60.19 -43.69 95.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.912 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.61 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -63.33 -50.36 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.52 111.077 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.8 mp -64.51 -32.9 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 75.25 111.163 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -24.94 67.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 52.31 111.095 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.96 -49.13 11.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 73.32 110.934 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -54.69 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.51 111.105 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.3 t -51.99 -33.02 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 74.23 111.125 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.94 20.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 75.11 111.113 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -122.64 24.62 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.881 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp 51.99 43.83 30.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.897 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.7 mt -94.84 140.83 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 64.43 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.25 107.31 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.901 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.55 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.6 p90 -100.64 137.23 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.92 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -117.45 139.12 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.22 111.16 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.6 m -97.62 120.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 42.13 111.137 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 mt . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.927 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.844 0.354 . . . . 73.43 110.882 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.73 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.02 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 54.32 111.159 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -95.92 102.82 14.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.859 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.587 HG12 HD23 ' A' ' 32' ' ' LEU . 61.9 mt -104.23 132.78 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 71.42 111.135 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.7 p90 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 75.42 110.91 -179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.8 m95 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.845 0.355 . . . . 74.44 110.92 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.06 134.22 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.73 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.6 tm? -125.52 124.61 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 65.02 110.935 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.49 ' N ' HD22 ' A' ' 32' ' ' LEU . 6.6 tp10 -130.11 103.38 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 71.44 110.876 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -86.05 141.18 29.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 72.0 110.873 -179.865 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.853 0.359 . . . . 71.04 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -126.47 122.17 34.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.33 143.28 46.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.868 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.9 m -68.31 -50.33 54.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.146 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.2 162.39 16.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 75.42 111.094 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.701 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.2 ptt180 -66.66 -47.08 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.872 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -51.77 -30.49 23.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 52.42 110.858 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.84 -39.07 80.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 72.1 110.929 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.3 -61.55 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.119 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.5 mp -53.69 -34.06 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.109 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.87 -24.03 55.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 74.24 111.15 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.86 -45.24 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.24 110.943 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.21 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 52.02 111.097 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 69' ' ' ILE . 98.9 t -51.61 -30.23 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.21 111.125 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.99 -28.57 38.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 75.05 111.194 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -126.75 24.93 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.83 44.8 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 64.13 110.92 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.0 mt -92.34 141.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 54.42 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.22 102.13 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 62.45 110.837 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG23 ' A' ' 69' ' ' ILE . 54.0 p90 -99.97 133.82 43.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 70.33 110.917 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -116.95 121.53 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 74.5 111.116 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.3 m -95.73 124.61 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.131 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.901 179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.856 0.36 . . . . 74.52 110.869 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.777 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -117.26 151.82 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 44.41 111.058 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.96 103.11 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.908 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.526 HD12 ' HD2' ' A' ' 79' ' ' TYR . 70.9 mt -102.55 119.14 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 65.12 111.096 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.939 -179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.1 m95 . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.876 0.37 . . . . 72.33 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -123.53 130.91 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 63.02 110.881 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.799 HD11 ' CD2' ' A' ' 34' ' ' PHE . 1.7 tm? -124.0 122.6 38.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.96 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.603 ' N ' HD22 ' A' ' 32' ' ' LEU . 2.2 tm-20 -121.74 101.8 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 64.52 110.885 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.799 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.8 m-85 -82.03 147.27 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.897 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 . . . . . 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 73.2 110.934 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.862 0.363 . . . . 74.23 110.878 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p -112.01 146.2 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 43.54 110.823 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -117.74 173.56 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 54.1 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.29 -38.1 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 62.22 111.14 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -136.78 151.71 49.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.102 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 69' ' ' ILE . 5.4 ptp180 -56.07 -40.55 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.14 110.863 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 56.1 mt-10 -51.38 -30.59 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.807 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.36 -34.6 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 62.45 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.42 -59.4 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 75.31 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.64 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 4.4 mp -59.04 -34.62 53.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.15 111.159 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -57.09 -31.49 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 50.21 111.081 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -69.98 -57.29 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 65.43 110.949 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.7 -53.2 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 63.31 111.133 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 69' ' ' ILE . 91.4 t -53.33 -32.16 19.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 71.1 111.081 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -53.2 -35.31 59.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 70.1 111.149 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.69 17.71 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.864 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.26 47.4 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.914 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.538 HD13 ' CE1' ' A' ' 34' ' ' PHE . 30.1 mt -92.84 142.11 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.34 111.083 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.11 97.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.829 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.64 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 44.5 p90 -101.85 139.13 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.915 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -110.69 138.1 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 45.3 111.093 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.7 t -104.6 114.17 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.182 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.4 mm? . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.88 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.777 0.322 . . . . 72.24 110.88 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -105.43 119.93 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 64.53 111.052 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -99.64 103.15 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.587 ' CG1' HD23 ' A' ' 32' ' ' LEU . 54.7 mt -95.83 139.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.13 111.121 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.7 t80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 62.15 110.862 -179.967 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.1 m95 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.9 0.381 . . . . 70.35 110.882 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -126.32 152.27 46.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 54.42 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.4 tm? -143.58 134.71 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.982 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.482 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.1 tp10 -133.81 104.16 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 71.34 110.91 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -86.33 138.38 31.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 73.15 110.895 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 121.593 0.711 . . . . 70.12 110.908 -179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 62' ' ' PHE . 1.4 pp . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.817 0.342 . . . . 73.45 110.947 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.537 ' N ' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -126.95 140.64 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.828 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 60' ' ' LEU . 36.5 m-85 -109.97 158.42 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 74.11 110.845 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -44.84 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 73.42 111.206 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -123.65 154.15 39.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 74.42 111.155 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 69' ' ' ILE . 10.5 ttt180 -53.42 -53.46 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 73.01 110.89 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -53.2 -28.65 27.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 64.43 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.59 -33.82 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 62.2 110.914 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -73.88 -49.85 23.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 65.01 111.109 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 65' ' ' ARG . 5.0 mp -66.91 -32.77 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 61.41 111.126 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.56 -25.31 67.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.109 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 28.4 t80 -79.34 -50.73 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.992 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.37 -56.15 18.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.15 111.088 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 69' ' ' ILE . 93.0 t -51.86 -31.01 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.13 111.152 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.1 -30.67 27.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 43.24 111.121 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -124.23 25.23 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.851 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp 51.97 55.29 9.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 53.45 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 66.4 mt -106.62 142.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 63.05 111.109 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -71.29 104.15 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.895 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.0 p90 -100.57 135.93 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.941 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -121.27 121.59 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 71.22 111.177 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 81' ' ' VAL . 18.5 m -88.53 122.07 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.094 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 71.31 110.896 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.844 0.354 . . . . 75.14 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.05 128.9 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 42.35 111.103 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 102.93 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.882 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.479 HG12 HD23 ' A' ' 32' ' ' LEU . 60.6 mt -106.21 117.44 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.1 111.102 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.0 p90 . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 63.03 110.92 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.0 m95 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.854 0.359 . . . . 75.05 110.906 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -120.41 117.03 26.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.701 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.1 tm? -103.2 131.51 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.884 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.459 ' H ' HD22 ' A' ' 32' ' ' LEU . 2.9 mm-40 -138.78 104.09 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.926 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -85.22 138.56 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.875 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 75.32 110.936 -179.963 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.862 0.363 . . . . 72.32 110.917 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.56 141.24 39.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.889 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -131.89 143.84 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.18 -48.79 49.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 75.02 111.198 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.65 177.54 4.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 64.43 111.171 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -77.16 -48.26 18.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 61.44 110.892 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.1 tp10 -50.1 -30.18 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 60.44 110.944 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 tp -79.24 -38.05 36.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.03 110.893 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.8 -64.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.067 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.0 mp -51.23 -31.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 64.21 111.103 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -51.18 -47.38 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.118 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 80.3 t80 -51.87 -50.7 60.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 77' ' ' ILE . . . -63.55 -55.55 23.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 61.15 111.1 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 69' ' ' ILE . 99.1 t -51.45 -30.7 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.31 111.109 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.14 -35.83 49.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 62.44 111.059 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -126.47 25.83 6.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.907 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.62 45.4 28.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.912 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.423 ' O ' ' HB1' ' A' ' 72' ' ' ALA . 53.4 mt -91.09 141.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -71.3 107.43 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 51.5 110.883 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE1' HG23 ' A' ' 69' ' ' ILE . 53.3 p90 -101.61 130.03 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 60.42 110.979 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 t -105.89 133.89 49.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 70.22 111.116 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.2 m -105.83 110.98 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.136 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.1 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.918 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.903 0.383 . . . . 73.22 110.808 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.06 125.96 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.31 111.107 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -108.03 102.91 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.852 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.663 HG12 HD23 ' A' ' 32' ' ' LEU . 46.6 mt -94.81 141.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 61.34 111.09 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.944 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 22.0 m95 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.85 0.357 . . . . 74.21 110.918 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -111.14 139.29 46.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.868 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 12' ' ' ILE . 3.2 tm? -135.8 129.81 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.921 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.494 ' N ' HD13 ' A' ' 32' ' ' LEU . 19.4 mm-40 -127.76 103.36 7.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.811 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -100.14 133.26 44.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.888 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 121.671 0.748 . . . . 75.24 110.913 -179.962 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.582 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.7 tp . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.832 0.348 . . . . 64.22 110.949 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -97.48 153.36 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 62.5 110.865 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 22.3 m-85 -137.47 157.79 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 71.12 110.913 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.11 -54.06 39.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 51.23 111.166 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.8 p -137.98 166.94 22.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.138 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.737 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.9 OUTLIER -53.38 -41.68 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.878 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.71 -35.44 42.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 42.52 110.883 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.461 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -67.48 -38.61 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.44 110.973 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.597 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -66.37 -60.71 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 71.15 111.1 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -55.36 -35.8 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.128 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.87 -24.48 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 63.43 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -79.73 -46.54 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.877 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.68 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 69' ' ' ILE . 97.4 t -52.11 -32.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 64.41 111.131 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.91 -30.11 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 42.23 111.013 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -122.33 24.61 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 73.43 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 51.93 55.58 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.78 143.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 73.52 111.111 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.37 104.51 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.879 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 52.2 p90 -100.36 130.92 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.003 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 t -113.8 124.96 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.4 111.189 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.62 114.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 60.31 111.091 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 tt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.876 179.968 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.891 0.377 . . . . 73.53 110.858 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.699 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.83 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.1 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -98.34 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.883 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.635 HG12 HD23 ' A' ' 32' ' ' LEU . 62.9 mt -102.91 137.81 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 61.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.9 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.932 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.0 m95 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.819 0.342 . . . . 73.25 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -111.35 142.87 43.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.93 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.699 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -135.34 127.22 29.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 50.41 110.883 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.477 ' N ' HD22 ' A' ' 32' ' ' LEU . 7.1 tp10 -132.08 107.43 8.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.868 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -85.45 138.98 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.41 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 62.03 110.894 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.785 0.326 . . . . 72.1 110.931 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 t -126.95 134.74 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.811 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -132.12 130.18 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 74.54 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.6 m -59.47 -48.16 82.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 53.5 111.16 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.81 148.85 39.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 75.14 111.144 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.728 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -58.53 -42.89 88.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.91 -30.23 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 70.13 110.923 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 tp -70.92 -38.87 72.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 55.3 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.4 -62.02 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 41.34 111.133 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.3 mp -53.16 -34.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 74.32 111.143 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.05 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 53.2 111.051 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.482 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.2 t80 -79.66 -55.97 4.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.406 . . . . 73.45 110.884 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.63 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 73.22 111.104 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.8 t -51.98 -33.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.119 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -54.46 -26.66 32.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 62.32 111.211 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -126.47 26.46 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.866 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.04 32.05 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.897 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.3 mt -80.66 139.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 73.34 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -71.94 105.95 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 70.51 110.893 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.526 ' CE2' HG23 ' A' ' 69' ' ' ILE . 50.7 p90 -100.87 137.89 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.15 110.953 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.62 120.87 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.34 111.149 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.83 118.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 64.23 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.915 179.915 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.844 0.354 . . . . 75.42 110.828 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -104.55 127.05 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.109 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -105.89 103.68 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.866 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.651 HG12 HD23 ' A' ' 32' ' ' LEU . 46.1 mt -99.27 134.75 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.52 111.115 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.87 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.5 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.812 0.339 . . . . 63.42 110.895 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 140.36 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.651 HD23 HG12 ' A' ' 12' ' ' ILE . 3.3 tm? -135.46 129.13 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.25 110.9 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' N ' HD13 ' A' ' 32' ' ' LEU . 48.2 tt0 -131.87 109.84 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.2 110.914 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -91.93 136.59 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.81 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 . . . . . 0 C--N 1.33 -0.271 0 CA-C-O 121.692 0.758 . . . . 71.31 110.902 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tp . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.78 0.324 . . . . 75.51 110.878 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.0 m -95.63 165.63 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 64.02 110.853 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 35.4 m-85 -148.06 141.13 24.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 75.13 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -46.74 78.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.23 111.174 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -135.11 150.1 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.143 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -52.31 -38.01 57.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.888 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 77.7 mm-40 -53.41 -31.42 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 74.54 110.939 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.441 HD23 ' HD1' ' A' ' 62' ' ' PHE . 7.1 tp -77.72 -38.28 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 73.3 110.905 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.12 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.132 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.1 mp -51.79 -34.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.24 111.096 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -59.29 -33.21 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.4 111.118 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.468 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 9.7 t80 -75.41 -52.5 10.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 75.15 110.901 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.85 -51.19 70.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 42.51 111.109 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 69' ' ' ILE . 98.1 t -58.15 -31.97 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.137 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.68 -29.96 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.32 111.125 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -121.39 25.53 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.86 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt 51.94 33.13 11.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 64.5 110.887 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 75.9 mt -82.73 137.18 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 65.24 111.128 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.49 106.99 4.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 61.41 110.876 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 69' ' ' ILE . 45.2 p90 -100.44 138.35 37.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.11 110.93 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -115.2 132.68 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 54.43 111.139 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.1 m -98.26 119.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 72.4 111.115 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.5 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.903 179.979 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.787 0.327 . . . . 71.42 110.88 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.39 129.13 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 73.54 111.109 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -108.01 104.21 13.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 53.23 110.943 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.548 HG12 HD23 ' A' ' 32' ' ' LEU . 34.5 mt -97.69 121.95 48.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 65.14 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.877 -179.931 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.0 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.823 0.344 . . . . 74.32 110.916 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -108.28 144.74 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 52.31 110.93 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.562 HD13 ' N ' ' A' ' 33' ' ' GLU . 2.2 tm? -139.53 127.74 22.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 54.34 110.929 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.562 ' N ' HD13 ' A' ' 32' ' ' LEU . 7.1 tp10 -131.37 106.64 8.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 53.51 110.896 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -92.74 137.36 32.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.24 110.904 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 . . . . . 0 C--N 1.33 -0.265 0 CA-C-O 121.645 0.736 . . . . 74.34 110.902 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.645 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.9 tp . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.849 0.357 . . . . 63.11 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 p -99.14 161.99 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 65.14 110.818 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.645 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 32.2 m-85 -145.18 162.31 37.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 75.24 110.85 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.69 -46.93 16.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 74.15 111.199 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -134.39 161.36 35.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 64.12 111.084 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.703 ' O ' HD12 ' A' ' 69' ' ' ILE . 8.3 ptp180 -59.51 -39.43 83.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.853 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -51.68 -31.6 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.51 110.872 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.82 -38.05 62.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.934 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 51.31 111.08 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mp -51.97 -34.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.155 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.48 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 62.15 111.131 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 5.0 t80 -67.83 -50.23 57.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.892 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.41 11.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 63.23 111.127 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.9 t -51.66 -29.99 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 70.04 111.135 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.71 -29.92 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 70.14 111.159 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -124.79 26.03 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.867 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 51.8 45.67 27.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.53 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 62.5 mt -95.5 140.97 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.05 111.13 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.36 104.5 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 61.23 110.808 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.499 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 49.4 p90 -100.1 136.36 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 64.01 111.002 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.5 t -115.79 123.73 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 61.02 111.131 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.3 m -96.66 119.29 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 62.13 111.126 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 55.03 110.867 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.817 0.341 . . . . 62.41 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.26 130.18 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 53.34 111.126 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.5 mtm-85 -112.32 103.95 12.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 52.23 110.846 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.625 HG12 HD23 ' A' ' 32' ' ' LEU . 53.4 mt -100.96 134.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.52 111.185 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 t80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 43.03 110.868 -179.892 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 58.1 m95 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.825 0.345 . . . . 62.13 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -126.11 122.39 35.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.93 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 12' ' ' ILE . 3.3 tm? -116.92 131.77 56.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.919 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 32' ' ' LEU . 46.2 tt0 -140.31 113.91 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.864 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -94.21 148.74 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 63.31 110.853 -179.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.763 HD11 ' CE2' ' A' ' 62' ' ' PHE . 2.2 pp . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.332 . . . . 54.24 110.914 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.515 ' N ' HD12 ' A' ' 60' ' ' LEU . 29.4 m -127.46 147.81 50.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.859 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.763 ' CE2' HD11 ' A' ' 60' ' ' LEU . 18.0 m-85 -123.33 165.85 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.902 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -82.73 -46.7 12.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.479 . . . . 60.53 111.142 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 p -133.74 159.04 41.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 74.13 111.155 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -58.11 -41.18 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 64.33 110.882 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 2.5 mt-10 -51.58 -30.45 20.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.916 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -78.53 -39.64 37.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.908 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 65.41 111.102 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mp -51.52 -34.86 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 70.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -52.82 -41.31 64.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 51.33 111.149 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.517 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 17.1 t80 -65.7 -53.54 39.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.54 110.934 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.22 -55.58 31.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 64.41 111.046 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 69' ' ' ILE . 91.6 t -52.34 -32.19 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 75.34 111.146 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.86 -33.47 36.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.22 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -123.48 24.72 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 74.44 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 51.92 34.5 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.881 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -79.46 140.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 74.44 111.142 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.08 104.09 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CE2' HG23 ' A' ' 69' ' ' ILE . 50.4 p90 -100.21 133.22 44.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.913 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.8 t -108.7 131.57 54.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 63.24 111.167 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 81' ' ' VAL . 17.3 m -94.82 121.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 72.15 111.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.0 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.964 179.954 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.802 0.334 . . . . 73.34 110.917 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.812 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -117.32 156.75 27.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 52.22 111.091 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -121.74 102.74 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.874 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.625 HD12 ' CD2' ' A' ' 79' ' ' TYR . 86.6 mt -97.54 125.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 70.03 111.086 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CE2' HD22 ' A' ' 82' ' ' LEU . 24.8 t80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 70.01 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.0 m95 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.796 0.331 . . . . 75.24 110.93 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -120.56 145.27 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.911 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 34' ' ' PHE . 2.0 tm? -137.71 127.52 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.924 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.601 ' N ' HD22 ' A' ' 32' ' ' LEU . 40.4 mm-40 -130.49 101.46 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.15 110.95 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.824 ' CD2' HD11 ' A' ' 32' ' ' LEU . 5.4 m-85 -84.65 144.65 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 74.23 110.868 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 73.13 110.84 -179.911 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tp . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.79 0.329 . . . . 75.33 110.892 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 p -100.2 158.72 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.85 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 46.9 m-85 -137.95 164.7 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 71.1 110.911 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -50.36 7.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 61.34 111.207 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -130.15 159.81 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 71.44 111.124 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 69' ' ' ILE . 12.0 ptm180 -58.24 -39.28 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.86 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 27.6 mt-10 -52.44 -30.03 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.877 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.439 HD23 ' HD1' ' A' ' 62' ' ' PHE . 4.5 tp -82.65 -37.04 25.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.55 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 111.125 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.586 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 4.5 mp -52.43 -34.13 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -56.06 -31.39 63.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 65.41 111.15 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.51 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -73.35 -53.09 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.928 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.03 -55.14 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 73.52 111.098 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -54.26 -27.99 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.21 111.144 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.04 -34.67 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 61.25 111.097 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -126.94 27.5 5.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 75.11 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 51.84 40.6 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.465 HG21 ' HE1' ' A' ' 34' ' ' PHE . 59.5 mt -83.59 137.34 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 55.54 111.144 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.24 97.95 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.943 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.625 ' CD2' HD12 ' A' ' 12' ' ' ILE . 54.8 p90 -99.87 139.13 35.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.888 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -104.21 130.93 51.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 74.35 111.123 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.11 116.22 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 53.43 111.175 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.486 HD22 ' CE2' ' A' ' 13' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 64.13 110.85 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.857 0.361 . . . . 73.42 110.897 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -103.57 118.99 38.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 64.35 111.106 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.6 ttm-85 -97.2 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 45.35 110.891 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.66 HG12 HD23 ' A' ' 32' ' ' LEU . 61.2 mt -105.46 136.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 64.22 111.067 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 p90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.936 -179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.9 m95 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.761 0.315 . . . . 74.03 110.991 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -113.01 139.96 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 72.21 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.66 HD23 HG12 ' A' ' 12' ' ' ILE . 2.5 tm? -135.25 124.93 25.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 72.3 110.891 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.51 ' N ' HD22 ' A' ' 32' ' ' LEU . 24.8 mt-10 -128.87 104.61 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.848 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -89.43 138.21 31.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 62.21 110.855 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 63.41 110.927 -179.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.818 0.342 . . . . 64.21 110.944 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 132.04 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.886 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.64 ' CE1' HD12 ' A' ' 67' ' ' LEU . 22.8 m-85 -105.49 147.93 27.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 m -60.7 -52.39 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.086 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.45 173.09 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 70.12 111.127 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.4 tmm_? -70.74 -50.54 35.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.842 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -51.91 -33.0 35.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 74.51 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.64 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -55.58 -45.42 77.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 70.53 110.874 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -59.04 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 111.125 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mp -52.94 -40.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 61.33 111.128 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.29 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.13 111.088 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.457 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.4 t80 -80.74 -53.44 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.918 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -60.66 -55.02 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 52.12 111.118 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.64 -31.32 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 61.54 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.78 -30.71 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 51.12 111.093 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -126.93 25.25 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.827 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 51.8 58.7 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.881 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.476 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 70.3 mt -106.9 143.38 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.156 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.29 100.41 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.84 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 53.1 p90 -99.97 130.95 46.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 65.01 110.935 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -113.1 120.9 42.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.169 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.9 m -94.08 119.93 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 70.03 111.158 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 63.41 110.94 179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.805 0.336 . . . . 75.05 110.871 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.47 135.38 44.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.11 111.109 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -109.66 103.09 11.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.847 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.691 HG12 HD23 ' A' ' 32' ' ' LEU . 61.6 mt -101.97 139.61 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.183 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CD1' HD23 ' A' ' 82' ' ' LEU . 9.2 t80 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.938 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 25.2 m95 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.794 0.33 . . . . 75.12 110.903 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -110.97 140.93 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD23 HG12 ' A' ' 12' ' ' ILE . 3.4 tm? -139.88 128.61 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.87 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.58 107.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 61.32 110.899 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -92.91 138.66 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.858 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 . . . . . 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 74.31 110.906 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.825 0.345 . . . . 74.24 110.922 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.3 m -129.01 159.57 35.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.858 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 67' ' ' LEU . 10.8 m-85 -139.77 156.24 46.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 71.05 110.937 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -54.99 -56.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 75.55 111.205 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 p -135.01 176.02 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 75.44 111.135 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.729 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -64.51 -40.49 95.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 62.41 110.9 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -51.98 -30.44 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.88 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.51 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -71.66 -37.36 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.935 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.551 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -69.25 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.132 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -54.62 -34.77 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.51 111.089 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.14 71.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.13 111.076 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 13.0 t80 -76.38 -53.64 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.33 110.957 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -53.76 54.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 73.02 111.167 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 69' ' ' ILE . 89.6 t -57.14 -30.63 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.075 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.1 -30.26 25.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.52 111.049 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.72 26.41 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 53.36 12.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 65.33 110.911 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -104.87 142.73 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 71.55 111.121 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.7 107.0 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 65.32 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 52.4 p90 -100.8 136.83 40.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.931 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.52 122.66 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 74.24 111.169 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.07 129.26 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 61.14 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 13' ' ' TYR . 65.6 tp . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 74.45 110.911 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.799 0.333 . . . . 74.31 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -101.98 119.05 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.51 111.094 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -97.43 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.804 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.588 HG12 HD23 ' A' ' 32' ' ' LEU . 61.3 mt -105.04 131.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.111 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 p90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 73.41 110.981 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.1 m95 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.919 0.39 . . . . 74.1 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -115.34 136.11 53.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 64.43 110.973 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -125.63 127.97 47.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 74.02 110.934 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.484 ' N ' HD22 ' A' ' 32' ' ' LEU . 5.5 tp10 -132.13 104.13 6.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.861 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -85.53 138.6 32.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.886 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 . . . . . 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 72.42 110.818 -179.907 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.559 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.5 tp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.813 0.34 . . . . 74.31 110.947 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.7 p -92.78 157.9 16.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.821 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 27.7 m-85 -141.89 141.32 33.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 74.03 110.894 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -41.03 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.16 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -136.29 149.15 48.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.153 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.697 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -54.32 -41.38 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 55.23 110.877 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 11.8 pt-20 -51.53 -31.53 24.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.907 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.32 -37.52 32.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.912 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -63.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 42.03 111.093 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -53.88 -34.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 72.45 111.097 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -58.76 -22.9 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 73.24 111.137 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -80.07 -48.74 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.987 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -53.36 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 71.11 111.092 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -51.6 -30.23 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.45 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.43 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 72.4 111.066 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -125.94 24.77 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.781 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.67 39.52 25.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 74.23 110.944 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.56 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 53.2 111.107 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -71.12 102.45 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 61.1 110.909 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' A' ' 69' ' ' ILE . 49.7 p90 -100.04 137.37 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 61.45 110.915 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.85 122.05 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.31 111.167 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.0 t -96.5 123.85 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 71.33 111.097 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.962 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.814 0.34 . . . . 74.11 110.794 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.21 120.22 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 55.33 111.08 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -99.77 102.59 14.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 70.11 110.901 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.574 HG12 HD23 ' A' ' 32' ' ' LEU . 57.1 mt -103.02 129.74 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 54.24 111.16 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.926 -179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.4 m95 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.817 0.341 . . . . 70.51 110.938 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.92 143.27 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.33 110.894 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.775 HD12 HD21 ' A' ' 60' ' ' LEU . 3.0 tm? -129.28 131.6 47.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 74.03 110.959 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.484 ' H ' HD22 ' A' ' 32' ' ' LEU . 4.8 tp10 -138.4 104.43 5.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 62.5 110.849 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -84.42 141.37 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.864 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 . . . . . 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 64.01 110.936 -179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.775 HD21 HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.815 0.34 . . . . 62.33 110.885 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.6 p -116.58 167.77 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 53.24 110.848 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.458 ' CZ ' HD11 ' A' ' 60' ' ' LEU . 34.7 m-85 -144.04 129.89 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 m -56.16 -45.56 79.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 74.25 111.101 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.75 146.69 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.25 111.199 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -52.96 -40.99 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.885 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.5 mm-40 -52.72 -31.29 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 60.14 110.857 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.442 HD23 ' HD1' ' A' ' 62' ' ' PHE . 7.1 tp -75.51 -38.67 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.856 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.52 -64.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 54.44 111.08 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -52.41 -34.66 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 43.11 111.118 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -55.39 -26.07 39.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.12 111.072 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.473 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 38.0 t80 -77.99 -54.44 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 64.25 110.957 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 61.31 111.148 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -52.45 -30.92 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.126 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -56.65 -25.43 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.125 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -126.63 23.98 6.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 61.53 110.853 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? 51.96 38.67 24.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 54.31 110.843 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.9 mt -88.86 140.24 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 71.31 111.129 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.24 104.8 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.878 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.459 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.6 p90 -99.93 133.12 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.959 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -112.63 125.3 54.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 63.32 111.099 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.6 m -98.03 123.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 72.24 111.124 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.952 179.906 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.9 ptt? . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.713 0.292 . . . . 63.13 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -102.81 -176.42 3.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.258 -0.428 . . . . 72.43 110.912 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -130.1 135.01 47.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.21 110.864 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -85.94 132.72 34.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 70.52 110.896 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.2 t -127.09 138.94 53.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 73.43 111.137 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 t -104.08 70.96 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 73.13 110.854 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -149.76 157.34 43.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 62.24 110.887 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.8 m -94.34 168.02 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 70.01 111.128 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.0 mtt180 -137.29 150.29 47.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.873 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.93 135.23 45.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 64.04 111.103 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.7 ttt-85 -112.04 104.85 13.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 75.15 110.878 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.596 HG12 HD23 ' A' ' 32' ' ' LEU . 77.2 mt -105.21 135.25 44.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 75.32 111.13 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -130.77 134.19 46.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 75.24 110.88 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 27.3 pttt -91.33 153.01 44.36 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.552 0.692 . . . . 75.42 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.429 ' HG3' ' HB1' ' A' ' 29' ' ' ALA . 54.3 Cg_endo -69.73 -173.22 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.688 2.259 . . . . 71.51 112.378 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -101.5 143.26 31.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 54.42 111.073 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -64.79 115.66 5.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 42.41 110.922 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 27.2 t -152.56 155.4 37.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 74.01 110.828 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.2 p -59.94 115.11 3.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 63.22 111.136 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.6 ptt? -64.99 176.75 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 73.22 110.884 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 52.56 31.85 10.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 64.13 110.932 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 56.5 p -96.0 42.31 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 71.41 110.907 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.31 97.35 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.718 -0.753 . . . . 51.22 112.479 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.8 m80 -145.24 142.69 29.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.818 0.342 . . . . 75.52 110.863 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.9 t -130.84 26.94 4.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 73.35 110.867 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 mmtp -142.76 171.06 14.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 74.22 110.939 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 65.1 mt -125.38 90.86 3.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.253 -0.43 . . . . 73.43 110.909 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.3 ttmt -161.82 118.6 2.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 64.35 110.913 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.429 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -134.21 -41.0 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 75.45 111.108 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 54.8 m95 -104.11 152.17 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 72.53 110.886 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.6 mmtm -119.83 146.23 45.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 75.32 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.596 HD23 HG12 ' A' ' 12' ' ' ILE . 3.4 tm? -134.73 136.66 42.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 71.41 110.918 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.546 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.6 OUTLIER -148.36 106.63 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 64.5 110.909 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -97.13 140.76 31.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 75.14 110.868 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -64.59 160.09 55.48 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.641 0.734 . . . . 73.12 110.873 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 146.77 61.65 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 60.15 112.345 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.5 p -112.95 -73.38 0.67 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.41 110.861 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.6 t -172.83 143.21 1.21 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.106 -0.497 . . . . 54.12 110.892 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.7 m 55.84 46.24 22.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 53.41 111.151 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -53.69 152.52 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.5 110.908 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -98.93 174.83 6.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 74.24 110.928 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.6 t -88.74 152.34 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 64.35 111.166 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -51.67 156.81 2.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 72.03 110.897 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.74 18.17 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.244 . . . . 62.41 112.376 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.0 tp -86.42 111.14 20.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 74.52 110.956 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.5 tpt -133.55 144.41 49.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 54.33 110.885 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -157.95 144.21 17.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 73.13 110.857 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 16.8 m95 -142.19 164.64 29.6 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 60.22 110.897 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.2 p -113.25 -53.6 2.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 62.42 111.121 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -55.25 -43.43 84.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.738 . . . . 14.13 112.486 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 92.0 p -135.09 130.65 35.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.912 0.387 . . . . 43.33 110.827 -179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 48.4 p-80 -52.23 134.37 33.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 75.24 110.815 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -71.41 143.44 50.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 74.22 110.859 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.5 t -94.5 158.82 15.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 73.41 111.138 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.6 mppt? -86.17 106.49 17.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 70.44 110.877 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -62.01 158.85 15.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 74.14 110.898 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -122.18 41.49 3.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 74.41 110.89 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' O ' HG12 ' A' ' 58' ' ' VAL . 3.4 t 65.23 14.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 74.11 111.104 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 8.6 t -84.91 142.53 29.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 72.5 110.859 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mt -107.61 154.41 21.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 75.2 110.913 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -129.1 119.03 23.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 52.43 110.828 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.455 ' HD1' HD23 ' A' ' 67' ' ' LEU . 81.3 m-85 -111.81 164.04 13.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 53.54 110.869 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 6.2 m -100.16 -43.96 6.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.12 -0.491 . . . . 61.53 111.118 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.43 139.78 51.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.267 -0.424 . . . . 72.13 111.13 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -51.67 -38.14 53.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 74.55 110.89 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 36.2 mt-10 -52.64 -32.25 41.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 74.15 110.879 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.455 HD23 ' HD1' ' A' ' 62' ' ' PHE . 5.5 tp -79.9 -37.36 34.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 75.12 110.93 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.97 -66.91 0.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 65.43 111.137 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.545 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.1 mp -51.74 -34.36 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 71.32 111.142 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.516 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -54.0 -36.42 62.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 75.14 111.055 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.462 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -63.56 -54.9 28.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 64.52 110.949 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -59.89 -53.64 55.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 61.1 111.088 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 69' ' ' ILE . 99.3 t -51.44 -30.84 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 43.11 111.129 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.462 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.0 -34.42 42.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 71.55 111.059 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -126.63 24.51 6.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 75.35 110.872 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt 51.94 40.16 27.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.866 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.7 mt -83.18 140.98 15.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 63.15 111.142 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -71.29 102.88 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.43 110.897 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -100.51 134.84 42.87 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 70.14 110.894 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -110.15 136.91 48.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.09 -0.504 . . . . 62.15 111.158 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 81' ' ' VAL . 18.6 m -100.57 122.52 52.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 73.2 111.159 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.1 mt -107.72 136.65 47.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 51.23 110.872 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.5 mt-30 -95.38 148.66 22.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 63.31 110.922 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -70.19 -32.53 70.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 64.32 110.821 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -131.14 160.57 66.39 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.636 0.731 . . . . 72.12 110.905 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 161.81 44.49 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.735 2.29 . . . . 65.12 112.362 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.36 105.15 15.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.11 110.865 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.0 m -87.18 150.82 23.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 74.54 111.124 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 4.9 mp -98.67 145.19 10.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.32 111.106 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.1 m -52.94 155.8 3.95 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-O 121.64 0.733 . . . . 60.34 111.118 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 113.36 3.34 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.701 2.267 . . . . 72.14 112.371 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 8.2 tmtm? -66.91 107.7 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.434 . . . . 73.32 110.903 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 29.6 m -114.71 -178.78 3.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.203 -0.453 . . . . 70.42 110.855 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -169.14 134.19 1.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 72.3 110.927 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.68 175.19 7.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 64.23 111.091 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -164.74 130.87 2.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 73.12 110.832 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -140.84 149.94 42.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 61.23 110.878 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 43.5 p90 -135.31 161.87 34.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 73.31 110.869 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.6 m -149.04 137.18 20.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.124 -0.489 . . . . 73.31 111.099 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.18 160.8 41.84 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.613 0.72 . . . . 74.13 110.854 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 168.76 20.59 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.684 2.256 . . . . 62.53 112.346 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.0 tpp85 -118.62 95.18 4.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 72.3 110.9 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -72.55 151.29 42.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 62.44 110.875 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.863 179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 mtt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.685 0.279 . . . . 70.02 110.903 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -125.13 93.97 4.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 65.4 110.926 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -82.01 138.47 34.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.471 . . . . 73.35 110.835 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.4 tt0 -103.84 151.89 22.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.11 -0.495 . . . . 71.21 110.967 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -134.83 70.89 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.12 111.104 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.4 p -118.15 -43.74 2.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 70.24 110.898 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -139.16 164.55 29.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 73.24 110.869 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.0 m -68.54 173.66 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 62.13 111.097 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -142.39 137.79 30.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 54.3 110.909 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.837 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -104.75 129.14 53.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 51.52 111.08 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.8 ttm180 -109.02 102.89 11.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 71.34 110.85 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.648 ' CG1' HD23 ' A' ' 32' ' ' LEU . 45.4 mt -93.6 140.0 17.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 63.32 111.159 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -141.79 139.0 32.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 75.13 110.894 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -80.63 153.01 73.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.731 . . . . 72.13 110.813 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 179.89 3.36 Favored 'Trans proline' 0 N--CA 1.465 -0.184 0 C-N-CA 122.768 2.312 . . . . 74.25 112.367 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -80.56 167.41 20.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 45.44 111.077 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.54 -32.31 65.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 73.25 110.853 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 21.1 m -74.75 175.02 8.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 71.11 110.879 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.09 164.16 34.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 71.44 111.155 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 30.8 mtp -124.25 -175.27 3.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.417 . . . . 65.14 110.94 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -70.17 -176.62 1.2 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.293 -0.412 . . . . 74.05 110.92 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.1 p -159.83 125.53 4.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.878 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.1 -129.64 5.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.764 -0.731 . . . . 63.31 112.461 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.7 p-80 -104.72 -34.65 8.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 73.42 110.868 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 60.0 p -122.4 172.98 7.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 60.34 110.803 -179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt 59.81 34.77 21.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 74.01 110.895 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.468 ' HB3' HG23 ' A' ' 63' ' ' THR . 19.0 mt -84.63 108.62 17.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 74.42 110.89 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.8 mtmt -136.64 134.33 37.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 73.11 110.87 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -127.65 -44.6 1.51 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 74.3 111.06 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 31.5 m95 -101.88 158.62 16.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 71.44 110.92 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -114.2 131.98 56.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 71.13 110.9 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.837 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.4 tm? -136.35 123.15 21.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.234 -0.439 . . . . 72.42 111.011 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.512 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -125.89 113.04 16.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 70.35 110.888 -179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 26.2 p90 -105.48 140.06 39.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.917 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -57.91 160.36 8.55 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 71.34 110.843 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -176.01 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 72.54 112.323 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 p -114.78 -28.4 7.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 71.41 110.85 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER 61.51 44.49 9.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 63.24 110.899 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.3 p -126.53 163.06 24.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 54.44 111.155 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.9 tt0 -57.4 114.91 2.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.983 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -84.13 121.76 27.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 74.23 110.92 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -58.47 150.34 22.85 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.087 -0.506 . . . . 61.55 111.17 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -68.14 160.96 72.13 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.726 0.774 . . . . 64.24 110.79 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 178.44 4.55 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.68 2.253 . . . . 61.32 112.39 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.4 155.02 17.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.28 -0.418 . . . . 72.14 110.871 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.2 ptp -60.8 170.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 64.51 110.898 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -73.78 90.29 1.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.283 -0.417 . . . . 62.23 110.865 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 7.0 t-105 -127.45 -50.86 1.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 75.11 110.876 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.9 p -84.77 -42.38 15.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.313 -0.403 . . . . 71.43 111.166 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -172.08 -97.26 0.11 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.696 -0.764 . . . . 71.13 112.443 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 96.1 p -112.67 179.35 4.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.882 0.372 . . . . 63.43 110.885 -179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 27.9 p-80 -115.59 -31.38 5.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 73.23 110.887 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.0 141.35 22.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.19 -0.459 . . . . 74.04 110.948 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -147.84 170.22 18.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 75.21 111.116 -179.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.6 ttmm -129.91 116.5 18.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 73.31 110.873 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 -79.4 139.4 37.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 72.2 110.922 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -138.32 163.02 32.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 63.3 110.933 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.2 m -112.79 -28.29 2.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 75.0 111.172 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 24.3 p -107.52 133.35 52.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.096 -0.502 . . . . 74.54 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.736 HD11 ' CE2' ' A' ' 62' ' ' PHE . 1.3 pp -135.74 164.94 26.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.141 -0.481 . . . . 64.42 110.927 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.403 ' N ' HD12 ' A' ' 60' ' ' LEU . 14.8 m -117.13 135.1 54.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 70.5 110.797 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.736 ' CE2' HD11 ' A' ' 60' ' ' LEU . 9.3 m-85 -111.64 158.14 19.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.061 -0.518 . . . . 74.13 110.835 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.595 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -67.33 -49.11 65.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.096 -0.502 . . . . 71.31 111.107 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.02 161.86 31.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 61.25 111.166 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.726 ' O ' HD12 ' A' ' 69' ' ' ILE . 2.3 ptt180 -57.21 -47.39 81.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 74.15 110.868 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -51.95 -32.53 33.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.04 110.868 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.722 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -62.53 -39.1 92.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 51.33 110.903 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -70.89 -58.1 3.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 71.22 111.094 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.726 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.3 mp -55.47 -34.2 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 63.12 111.163 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.37 -26.88 67.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.458 . . . . 40.11 111.118 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 14.8 t80 -78.14 -47.56 17.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 70.12 110.917 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.439 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -66.81 -56.74 9.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 73.52 111.091 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 69' ' ' ILE . 92.6 t -51.86 -33.95 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 61.01 111.105 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -58.28 -31.84 67.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 44.42 111.073 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -116.5 22.85 12.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 75.31 110.886 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt 51.75 50.29 19.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.873 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.439 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 62.2 mt -103.41 139.79 23.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 74.52 111.14 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -71.32 102.17 2.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 74.5 110.88 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.549 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 54.8 p90 -99.97 131.32 46.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 73.33 110.91 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -114.27 124.93 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 72.53 111.154 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 88.7 t -89.08 122.35 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.046 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 37.1 mt -108.6 104.17 13.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 72.44 110.906 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -116.51 114.56 24.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 52.5 110.872 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.26 158.4 17.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.168 -0.469 . . . . 51.12 110.902 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 52.63 72.8 1.07 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.736 . . . . 70.33 110.914 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.88 125.36 11.99 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.682 2.255 . . . . 44.44 112.319 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -100.95 132.53 46.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 71.33 110.864 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 21.0 p -144.17 150.72 38.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 71.25 111.099 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 19.8 pt -134.08 132.88 56.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 75.32 111.168 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.56 155.99 2.43 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.709 . . . . 74.03 111.166 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.82 126.82 13.71 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.658 2.239 . . . . 74.1 112.358 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -94.2 143.52 26.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 54.14 110.896 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m -100.98 164.88 11.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 73.0 110.852 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 27.4 m-85 -154.95 117.82 4.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 71.3 110.913 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.76 -179.13 5.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 65.14 111.09 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.33 135.82 25.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 62.22 110.886 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 60.5 t30 -115.78 74.61 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 72.34 110.972 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.5 m-85 -106.71 130.33 54.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 72.25 110.933 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 5.0 t -116.62 154.21 30.92 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.13 -0.486 . . . . 71.15 111.108 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.95 160.68 35.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.548 0.69 . . . . 63.11 110.839 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 158.8 55.76 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.719 2.279 . . . . 72.33 112.343 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.99 114.99 29.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.434 . . . . 60.43 110.932 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -112.16 -56.07 2.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 62.31 110.878 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.0 ptt? . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 65.33 110.862 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 ttt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.644 0.259 . . . . 74.01 110.859 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -153.82 155.58 36.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 73.1 110.93 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -132.15 112.06 11.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 74.43 110.893 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 29.7 mt-30 -59.45 113.55 2.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 75.21 110.87 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.4 m -113.92 28.66 2.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.173 -0.467 . . . . 71.13 111.107 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.1 t 57.3 43.71 23.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.858 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -115.62 146.98 41.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 74.51 110.898 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.407 HG23 HG23 ' A' ' 77' ' ' ILE . 12.8 m -112.24 -179.34 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 74.41 111.098 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -142.88 141.67 31.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 72.34 110.859 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.71 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -108.75 124.58 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 54.44 111.138 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.3 mmt180 -99.56 102.81 14.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.147 -0.479 . . . . 74.13 110.876 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.682 HG12 HD23 ' A' ' 32' ' ' LEU . 55.2 mt -95.89 139.24 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 75.41 111.11 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -140.03 136.29 33.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.108 -0.497 . . . . 64.42 110.953 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -83.31 153.11 65.6 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.614 0.721 . . . . 62.53 110.831 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.86 170.78 15.89 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 72.54 112.285 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -82.4 151.39 26.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 63.21 111.143 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -64.66 -35.42 80.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 64.23 110.958 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 p -104.59 97.47 7.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.891 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.1 145.66 47.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 51.12 111.222 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.4 tpt -118.83 32.27 6.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 73.25 110.883 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 11.3 mm100 -132.61 139.59 47.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 73.31 110.899 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.5 m -115.63 -36.46 4.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.444 . . . . 73.33 110.797 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.06 102.28 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 64.04 112.501 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -88.47 -50.41 6.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.775 0.321 . . . . 72.35 110.817 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.1 m -104.37 42.49 1.19 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.877 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -173.12 147.12 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 72.01 110.877 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.566 ' HB3' HG23 ' A' ' 63' ' ' THR . 14.1 mt -126.34 98.52 5.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 75.42 110.876 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 ptmm? -154.2 119.4 5.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 71.33 110.964 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.572 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -119.76 -34.7 3.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 52.02 111.099 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 19.1 m95 -103.74 165.9 10.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 73.53 110.909 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.7 tttm -118.51 149.79 40.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 74.43 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.71 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.4 tm? -148.19 130.18 15.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.43 110.955 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.413 ' N ' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -130.67 106.19 8.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 71.4 110.932 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -90.25 142.15 28.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 71.22 110.891 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.6 160.05 8.32 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.631 0.729 . . . . 74.53 110.887 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -8.8 24.52 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.641 2.227 . . . . 71.42 112.354 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.3 t 60.98 25.24 15.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 60.12 110.864 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.502 ' O ' HG23 ' A' ' 39' ' ' THR . 2.1 t 62.68 31.69 16.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 64.21 110.895 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.502 HG23 ' O ' ' A' ' 38' ' ' CYS . 0.9 OUTLIER -160.01 163.24 34.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 33.43 111.125 -179.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -116.5 45.26 1.84 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 75.24 110.908 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -90.74 78.67 6.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.121 -0.491 . . . . 75.1 110.912 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.4 p -131.61 122.52 26.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 74.23 111.161 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -149.04 70.14 10.02 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.62 0.724 . . . . 54.54 110.87 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.64 -177.68 1.95 Allowed 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.666 2.244 . . . . 75.14 112.399 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.633 HD23 ' N ' ' A' ' 46' ' ' MET . 2.5 tt -130.24 149.28 52.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 64.22 110.908 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.633 ' N ' HD23 ' A' ' 45' ' ' LEU . 2.1 ttt -154.84 166.53 33.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.828 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.8 p30 -116.84 -48.34 2.67 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 65.51 110.877 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 18.2 t-105 -64.19 109.61 1.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 73.43 110.926 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 42.1 p -56.83 135.27 55.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.01 111.112 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -59.22 154.31 29.66 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.734 -0.746 . . . . 63.44 112.559 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.0 t -66.66 -45.04 80.24 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.884 0.373 . . . . 72.35 110.894 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.51 ' O ' HG23 ' A' ' 54' ' ' THR . 30.9 m-70 -116.51 26.74 9.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 54.31 110.804 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 52.32 32.19 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.879 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.51 HG23 ' O ' ' A' ' 52' ' ' HIS . 43.0 p -121.75 113.36 19.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 63.43 111.107 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -116.7 83.69 2.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 71.54 110.937 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -119.18 58.21 0.87 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 65.54 111.01 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 tt0 -95.21 131.97 40.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.886 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.5 m -115.01 -26.66 2.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 73.52 111.195 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 29.7 m -84.25 143.76 29.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.079 -0.509 . . . . 75.34 110.844 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.6 tp -116.62 124.65 50.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 72.54 110.855 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 98.1 p -94.29 149.02 21.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.864 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -135.41 156.12 49.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.494 . . . . 72.52 110.863 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.572 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -62.12 -52.22 64.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.12 -0.491 . . . . 62.14 111.149 -179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.4 p -144.21 176.27 9.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 71.13 111.135 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.754 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -65.87 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.826 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -49.77 -48.88 50.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 75.21 110.913 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -66.22 -42.63 88.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.884 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.517 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -54.37 -49.89 68.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 73.1 111.077 179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 65' ' ' ARG . 2.7 mp -75.34 -34.91 31.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 63.13 111.123 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.16 -25.84 67.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 70.05 111.117 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.448 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 10.8 t80 -81.46 -53.13 6.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.977 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.69 78.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.087 -0.506 . . . . 72.12 111.094 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 69' ' ' ILE . 87.9 t -62.83 -31.22 51.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 74.43 111.14 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.58 -30.1 19.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 64.51 111.083 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -121.01 24.74 10.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 54.21 110.832 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.16 51.59 16.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.265 -0.425 . . . . 65.23 110.854 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.407 HG23 HG23 ' A' ' 8' ' ' VAL . 69.2 mt -104.16 138.62 27.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.278 -0.419 . . . . 74.43 111.071 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.47 105.36 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 71.01 110.876 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.598 ' CE2' HG23 ' A' ' 69' ' ' ILE . 38.8 p90 -100.14 140.98 33.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 71.12 110.893 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.8 t -123.97 122.9 39.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 71.11 111.153 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.8 m -87.1 123.99 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.43 111.119 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.26 120.88 43.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 72.21 110.861 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -129.19 147.97 51.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 60.15 110.883 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.7 t0 -106.08 44.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 55.04 110.887 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -171.96 70.61 0.46 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.684 0.754 . . . . 71.32 110.871 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 130.96 20.28 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.747 2.298 . . . . 51.51 112.315 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -121.65 132.9 54.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.26 -0.427 . . . . 74.1 110.919 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 65.1 p -84.58 140.28 31.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 70.33 111.104 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.457 ' H ' HD12 ' A' ' 89' ' ' ILE . 4.4 mp -88.96 140.54 15.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 64.13 111.145 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 90' ' ' VAL . 3.9 p -117.28 77.94 10.19 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.628 0.728 . . . . 63.4 111.085 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 168.06 22.72 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.253 . . . . 61.24 112.322 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 48.7 tttp -126.49 130.15 50.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.446 . . . . 74.45 110.924 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 t -111.01 172.62 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.268 -0.424 . . . . 64.24 110.906 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -169.88 116.77 0.56 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.161 -0.472 . . . . 74.55 110.964 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.18 -176.4 3.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 71.53 111.109 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.3 t0 60.07 29.85 19.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 75.02 110.865 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -85.13 137.09 33.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 72.42 110.832 -179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -133.09 135.88 45.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.475 . . . . 72.42 110.868 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.5 p -102.1 167.06 10.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.167 -0.47 . . . . 63.34 111.198 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 28.4 tttm -167.12 70.54 1.0 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.573 0.701 . . . . 73.31 110.858 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -39.8 6.02 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.664 2.243 . . . . 71.01 112.356 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 52.39 50.25 18.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 52.02 110.901 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -77.33 132.16 38.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 71.2 110.863 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 14.7 ptt? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.13 110.886 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.721 0.296 . . . . 42.32 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -120.47 139.6 52.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.45 110.88 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -117.24 118.01 31.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 75.24 110.886 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.9 tt0 -69.79 124.58 24.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.14 110.865 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.4 t -134.96 131.94 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 65.34 111.099 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -95.18 -29.49 14.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 63.04 110.816 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -65.56 171.53 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 51.52 110.909 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.594 HG12 ' O ' ' A' ' 36' ' ' PRO . 28.5 m -61.13 -179.6 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 72.4 111.108 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 ptp180 -142.48 149.16 38.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 73.41 110.821 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.36 125.17 48.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 64.43 111.143 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 20.5 ttm180 -104.49 102.65 12.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 71.2 110.9 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.619 HG12 HD23 ' A' ' 32' ' ' LEU . 43.6 mt -98.6 135.76 32.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.188 -0.46 . . . . 74.42 111.117 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.59 ' CZ ' HD22 ' A' ' 82' ' ' LEU . 2.4 m-85 -120.72 147.57 45.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 52.14 110.951 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.492 ' HD2' ' HB3' ' A' ' 16' ' ' ALA . 6.9 pttt -70.63 153.3 95.03 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.554 0.693 . . . . 71.11 110.89 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 -32.42 18.63 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.705 2.27 . . . . 63.35 112.318 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB3' ' HD2' ' A' ' 14' ' ' LYS . . . -75.92 155.78 34.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 75.24 111.042 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -132.25 -40.83 1.01 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 52.14 110.832 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -126.65 43.53 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 74.33 110.827 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.52 HG22 ' OD2' ' A' ' 84' ' ' ASP . 14.4 p 49.79 43.16 24.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.187 -0.461 . . . . 55.24 111.15 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 50.8 mtt -86.09 -74.56 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 63.31 110.818 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -121.69 -175.25 3.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 74.52 110.937 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 p -114.21 -74.53 0.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 54.23 110.891 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.27 144.37 5.54 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.703 -0.76 . . . . 60.22 112.484 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.7 m80 -154.63 -176.03 5.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.782 0.325 . . . . 64.34 110.864 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.8 m -66.08 90.5 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 70.31 110.842 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 63' ' ' THR . 0.1 OUTLIER -153.27 -176.2 5.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 73.31 110.819 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.9 mt -60.48 -169.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 63.2 110.914 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.9 mttp -51.27 115.43 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 72.3 110.955 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.71 -37.52 5.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 55.15 111.103 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -87.58 152.5 22.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 64.32 110.902 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.4 mttm -108.41 147.22 31.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.436 . . . . 75.21 110.905 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 33' ' ' GLU . 3.4 tm? -144.01 139.59 29.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 73.51 110.931 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.654 ' N ' HD13 ' A' ' 32' ' ' LEU . 13.0 tm-20 -151.62 109.02 3.59 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 52.34 110.876 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -88.71 137.84 31.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.475 . . . . 73.14 110.871 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -76.14 160.27 78.53 Favored Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 121.605 0.717 . . . . 64.31 110.901 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.594 ' O ' HG12 ' A' ' 8' ' ' VAL . 54.0 Cg_endo -69.81 -171.73 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.622 2.214 . . . . 65.22 112.381 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 p -131.56 168.8 17.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 75.04 110.859 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.6 p -112.08 32.54 5.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 75.33 110.861 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.2 p -103.08 -25.0 13.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.093 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 58.48 35.77 24.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 65.43 110.956 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -72.24 121.14 18.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.106 -0.497 . . . . 53.41 110.929 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 36.2 p -85.59 -178.91 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 72.34 111.171 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.6 tt0 -153.49 72.42 6.78 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.654 0.74 . . . . 75.01 110.874 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 127.25 14.34 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.688 2.258 . . . . 73.44 112.302 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 45' ' ' LEU . 2.2 pt? -126.82 170.39 12.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 70.02 110.914 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.5 ptm -132.84 55.5 1.89 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 73.51 110.888 179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 30.0 m120 -126.77 -50.88 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.41 110.785 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 53.4 p-90 -174.08 132.38 0.41 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 70.54 110.899 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -98.89 159.25 15.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 62.33 111.121 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 147.71 -26.57 1.48 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 65.53 112.489 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.6 p -91.66 52.53 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 55.44 110.871 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.5 p80 -100.12 -28.35 13.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.106 -0.497 . . . . 70.05 110.864 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -60.91 -32.2 71.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 70.34 110.886 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.0 m -88.05 129.31 35.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 74.22 111.112 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.84 46.25 1.79 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.464 . . . . 75.53 110.886 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 59.39 40.86 20.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.187 -0.46 . . . . 74.24 110.957 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -111.29 38.41 2.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 64.21 110.904 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 28.2 m -104.28 152.89 6.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.475 . . . . 62.14 111.149 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 30.3 p -88.16 154.69 20.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 75.3 110.888 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.4 mt -118.49 156.94 28.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.247 -0.433 . . . . 53.21 110.944 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -143.16 130.68 21.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 72.33 110.898 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 53.7 m-85 -116.78 160.91 20.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 71.01 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 26' ' ' LYS . 20.2 m -79.36 -56.33 4.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.45 111.123 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.3 p -117.79 152.57 35.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 62.11 111.116 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.643 ' O ' HD12 ' A' ' 69' ' ' ILE . 3.1 ptp85 -51.78 -47.97 63.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 64.3 110.867 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -51.77 -30.41 22.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 75.04 110.907 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.5 tp -69.87 -41.83 74.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 50.35 110.861 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.39 -62.29 1.69 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 75.35 111.084 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.643 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.0 mp -53.69 -34.52 24.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 75.3 111.17 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -58.16 -24.74 60.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 71.22 111.053 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.511 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 7.5 t80 -79.12 -60.27 2.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.243 -0.435 . . . . 74.32 110.882 -179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.0 -51.84 62.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 61.53 111.122 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 69' ' ' ILE . 83.6 t -56.06 -32.3 33.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 74.51 111.181 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.33 -30.06 26.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.183 -0.462 . . . . 51.41 111.041 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -123.25 24.52 8.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.288 -0.414 . . . . 73.31 110.806 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.84 53.26 12.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 45.02 110.9 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 65.0 mt -105.99 143.69 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 63.34 111.102 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.3 108.73 4.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 74.14 110.879 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CE2' HG23 ' A' ' 69' ' ' ILE . 49.7 p90 -104.07 136.18 44.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.911 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.407 HG23 ' O ' ' A' ' 80' ' ' THR . 5.5 t -126.29 121.67 33.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 61.33 111.133 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.3 m -95.62 126.89 48.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 71.5 111.107 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 13' ' ' TYR . 2.2 tp -102.21 115.83 31.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.202 -0.454 . . . . 70.14 110.892 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -112.7 165.09 12.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.142 -0.481 . . . . 72.21 110.911 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.52 ' OD2' HG22 ' A' ' 19' ' ' THR . 9.9 t70 -51.68 153.43 2.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 72.33 110.872 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -58.79 160.57 10.34 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.598 0.714 . . . . 72.24 110.889 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.66 175.0 8.6 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.699 2.266 . . . . 62.33 112.385 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 15.5 mmt180 -102.6 173.25 6.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 73.14 110.854 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -137.65 140.41 40.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 65.44 111.13 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.404 HG22 ' O ' ' A' ' 89' ' ' ILE . 7.0 mt 52.2 36.85 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 75.44 111.209 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.6 m -51.53 155.98 2.41 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.61 0.719 . . . . 63.12 111.135 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 111.48 2.84 Favored 'Trans proline' 0 N--CA 1.465 -0.195 0 C-N-CA 122.632 2.221 . . . . 61.34 112.351 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.5 pttp -150.52 139.33 20.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 65.22 110.855 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.4 m -175.98 145.03 0.63 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 65.15 110.843 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 39.7 p90 -170.29 124.26 0.72 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 72.13 110.91 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -109.62 104.1 13.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 70.32 111.083 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 14.8 t0 -108.17 109.52 20.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 54.3 110.905 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -146.61 124.77 12.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 74.42 110.917 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -150.04 138.52 20.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.49 . . . . 74.24 110.896 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 9.4 t -174.97 133.11 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 65.41 111.181 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -147.08 157.62 45.98 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.581 0.705 . . . . 63.32 110.915 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -172.63 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.678 2.252 . . . . 71.21 112.378 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -134.38 31.22 3.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 74.2 110.916 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -133.74 116.33 15.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 73.11 110.921 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.3 ttp . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 52.15 110.899 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.0 mtp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.703 0.287 . . . . 74.02 110.908 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 59.2 mt-30 -85.82 132.56 34.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 55.22 110.919 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -97.46 140.73 31.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.863 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -114.56 80.42 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 75.54 110.93 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.0 t -118.2 113.42 42.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 52.54 111.153 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t -111.18 62.09 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 64.31 110.864 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -148.17 -179.19 6.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 75.34 110.885 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 77' ' ' ILE . 34.1 m -111.99 176.34 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 75.1 111.123 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.1 mmp_? -119.65 140.61 50.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 73.15 110.869 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.898 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -107.0 127.0 53.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 52.22 111.05 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 26.1 mtt180 -105.72 103.77 13.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.214 -0.448 . . . . 74.53 110.903 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.614 ' CG1' HD23 ' A' ' 32' ' ' LEU . 81.4 mt -94.64 126.11 47.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 74.25 111.177 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -119.45 140.81 49.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 72.1 110.924 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -108.61 89.6 6.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.513 0.673 . . . . 73.11 110.902 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 162.66 41.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.676 2.25 . . . . 51.24 112.362 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.31 152.96 40.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 62.25 111.117 179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.09 -26.12 21.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 63.02 110.861 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.6 p -57.3 173.18 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.855 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 63.03 44.06 6.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 44.14 111.144 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 29.4 mtt -143.44 151.05 39.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 42.21 110.919 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -74.36 147.47 42.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 52.44 110.876 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.5 t -102.66 155.29 18.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.45 110.81 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 109.74 -57.25 0.43 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.717 -0.754 . . . . 73.35 112.452 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -129.68 64.06 1.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.811 0.339 . . . . 72.02 110.863 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.3 t -100.43 52.85 0.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 72.23 110.858 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -91.8 63.02 4.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 71.1 110.868 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.8 mt -131.77 175.76 8.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 72.05 110.897 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 165.15 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.868 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -138.35 -43.01 0.5 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 52.32 111.073 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 35.7 m95 -97.39 151.8 19.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.25 -0.432 . . . . 74.31 110.943 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -112.48 148.43 34.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 74.33 110.873 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.898 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -150.0 128.68 12.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 71.4 110.912 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.495 ' N ' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -132.33 114.98 15.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 65.33 110.877 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.1 p90 -99.26 141.26 32.26 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.157 -0.474 . . . . 54.11 110.846 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.12 160.44 8.96 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.682 0.753 . . . . 52.15 110.823 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.83 178.41 4.64 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.626 2.217 . . . . 71.34 112.305 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.4 m -151.28 117.6 5.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 70.32 110.889 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 53.3 t -63.18 -37.4 87.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.111 -0.495 . . . . 71.12 110.866 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.9 m -96.46 44.18 1.07 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 74.15 111.209 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -57.47 116.87 3.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.44 110.95 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 49.6 p90 -102.23 141.72 34.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 55.42 110.976 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.2 t -62.96 133.83 55.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 73.32 111.208 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -109.49 160.49 27.57 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.664 0.745 . . . . 75.55 110.837 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.69 143.56 51.56 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.748 2.299 . . . . 40.11 112.328 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mp -56.05 149.11 16.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 72.41 110.881 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.4 ttm -171.59 133.73 0.8 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 73.44 110.834 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 53.45 36.49 23.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 64.41 110.92 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 25.9 t90 -78.58 -34.33 46.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.148 -0.478 . . . . 75.25 110.925 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 34.4 p -87.0 104.22 16.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 72.14 111.131 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 169.28 -163.32 36.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.757 -0.735 . . . . 51.02 112.505 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 t -103.38 114.41 28.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.781 0.324 . . . . 75.44 110.93 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.2 p-80 -124.76 142.77 51.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 70.41 110.878 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -129.54 81.98 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 64.44 110.901 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 t -171.38 130.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 72.14 111.143 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -108.01 42.56 1.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 74.11 110.898 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -158.8 171.88 19.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.947 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -130.77 28.31 4.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.274 -0.421 . . . . 71.12 110.869 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.21 -51.93 6.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 63.13 111.154 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 94.3 m -85.55 142.75 28.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 64.2 110.828 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.3 mt -127.85 145.67 50.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.451 . . . . 74.14 110.917 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.4 127.38 45.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.875 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -111.14 158.68 18.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.51 110.828 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.492 ' H ' HD23 ' A' ' 67' ' ' LEU . 0.8 OUTLIER -84.14 -47.86 10.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.137 -0.483 . . . . 61.45 111.176 -179.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.41 160.57 25.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 71.1 111.195 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 69' ' ' ILE . 4.8 ttt180 -54.55 -56.02 23.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 74.42 110.862 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -51.95 -36.55 49.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.174 -0.466 . . . . 73.22 110.872 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.492 HD23 ' H ' ' A' ' 63' ' ' THR . 4.0 tp -57.0 -42.78 80.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 51.01 110.976 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.75 -64.43 0.87 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 64.43 111.16 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.566 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.3 mp -52.3 -35.54 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 62.13 111.097 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -55.0 -27.07 41.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 73.3 111.085 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.478 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 50.6 t80 -79.11 -53.5 6.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 72.51 110.925 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.434 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -58.23 -54.98 40.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 63.41 111.061 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.8 t -51.94 -33.03 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 75.31 111.114 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.71 -30.08 20.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 61.44 111.077 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -126.84 25.0 6.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 70.1 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 27.1 mmtt 51.89 47.03 25.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 50.13 110.887 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.528 HG23 ' O ' ' A' ' 8' ' ' VAL . 44.9 mt -93.34 140.7 15.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.23 -0.441 . . . . 72.12 111.104 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.12 101.25 2.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.04 110.906 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.45 ' CE1' HG23 ' A' ' 69' ' ' ILE . 52.5 p90 -99.69 130.17 45.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.954 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.6 t -113.53 124.8 53.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 50.12 111.13 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.5 m -90.71 122.13 41.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.429 . . . . 51.51 111.148 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 64.2 tp -109.32 114.18 27.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.257 -0.429 . . . . 53.24 110.888 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -108.5 160.77 15.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 54.42 110.918 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -127.94 109.38 11.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 73.31 110.857 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 56.54 72.24 1.02 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.648 0.737 . . . . 70.2 110.925 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 154.89 67.55 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.73 2.287 . . . . 54.45 112.353 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 23.6 mtt180 -68.91 174.48 4.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 74.32 110.95 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 29.4 p -122.52 27.19 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.45 111.13 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 2.7 pp -56.56 158.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.44 111.145 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.33 156.2 57.47 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.644 0.735 . . . . 43.32 111.178 179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 146.81 61.29 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.675 2.25 . . . . 73.34 112.405 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -137.87 122.93 19.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 71.33 110.896 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 t -164.82 150.09 9.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 75.44 110.792 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -156.87 117.59 3.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.083 -0.508 . . . . 61.23 110.948 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.46 -179.13 4.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.075 -0.511 . . . . 73.01 111.104 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -142.72 132.07 23.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 42.22 110.866 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -147.52 153.41 39.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 72.45 110.845 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -152.13 130.36 11.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.14 110.877 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.6 p -151.66 149.49 29.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 75.42 111.14 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -140.74 73.1 28.92 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 121.561 0.696 . . . . 73.4 110.918 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 116.45 4.56 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.773 2.315 . . . . 71.31 112.286 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 43.8 ttm-85 -94.51 87.68 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.244 -0.434 . . . . 74.1 110.928 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -113.89 151.06 32.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 74.4 110.934 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.7 mtp . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 75.55 110.843 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.8 mmm . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.756 0.312 . . . . 61.54 110.92 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -118.36 59.91 0.8 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 73.22 110.949 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.5 pt-20 -138.27 146.61 42.72 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 74.44 110.867 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 7.1 pm0 -125.52 159.86 30.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 62.24 110.91 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.7 m -131.1 140.33 48.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 74.42 111.108 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -169.66 157.53 7.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.487 . . . . 61.34 110.797 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -133.35 153.2 51.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 73.05 110.876 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.5 m -57.61 178.48 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.136 -0.483 . . . . 72.54 111.147 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -141.28 141.71 33.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 73.54 110.886 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.503 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -103.1 131.64 49.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 73.31 111.127 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.6 ttp85 -109.45 102.97 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.893 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.644 ' CG1' HD23 ' A' ' 32' ' ' LEU . 51.2 mt -96.42 135.66 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 72.21 111.177 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.8 t80 -129.29 135.92 49.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.166 -0.47 . . . . 75.32 110.876 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.37 152.98 50.66 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.579 0.704 . . . . 73.04 110.942 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.81 109.37 2.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.632 2.221 . . . . 64.25 112.33 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 150.73 38.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 52.33 111.117 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -76.03 166.2 23.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 73.11 110.891 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.4 p 53.87 29.27 9.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.31 110.842 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.9 t -90.46 -32.03 16.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.118 -0.492 . . . . 53.42 111.151 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 25.1 ptt? -146.76 154.51 41.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 61.23 110.911 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -76.38 -40.21 51.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.236 -0.438 . . . . 61.22 110.902 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.4 m -141.78 167.55 21.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 70.03 110.902 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -96.52 -37.77 4.68 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.728 -0.749 . . . . 34.25 112.46 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.0 t-160 61.85 49.05 4.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.709 0.29 . . . . 70.33 110.844 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.5 p 51.96 37.48 21.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 70.11 110.847 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -53.04 152.31 4.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 65.25 110.837 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' O ' HG23 ' A' ' 63' ' ' THR . 21.7 mt -102.4 -26.92 13.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 73.11 110.898 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.2 ptpt -109.73 134.92 51.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 72.11 110.825 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.35 -44.13 1.42 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.169 -0.469 . . . . 74.41 111.051 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -98.99 159.64 14.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 75.43 110.934 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -119.2 151.6 38.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 73.34 110.876 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.644 HD23 ' CG1' ' A' ' 12' ' ' ILE . 3.1 tm? -151.17 131.25 13.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 73.13 110.905 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.436 ' H ' HD22 ' A' ' 32' ' ' LEU . 4.0 tp10 -134.0 109.88 9.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.892 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -90.07 141.33 28.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.103 -0.499 . . . . 71.31 110.886 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -63.57 136.39 96.69 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.714 0.769 . . . . 73.31 110.823 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 134.3 27.5 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.714 2.276 . . . . 62.0 112.266 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.0 t -124.7 -54.51 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 60.02 110.897 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.7 p -151.29 178.01 9.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.491 . . . . 62.42 110.885 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -107.11 118.29 36.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.188 -0.46 . . . . 73.33 111.149 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -129.46 139.33 51.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.86 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -60.4 111.46 1.58 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.99 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -123.04 139.75 53.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 71.2 111.113 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -62.82 160.5 36.3 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.59 0.709 . . . . 65.02 110.91 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -28.73 24.54 Favored 'Trans proline' 0 C--O 1.233 0.241 0 C-N-CA 122.714 2.276 . . . . 73.43 112.312 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.0 tp 51.05 67.73 0.9 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.311 -0.404 . . . . 72.33 110.882 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 10.9 ttp -160.71 163.65 32.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 70.34 110.88 179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -57.3 171.45 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 71.31 110.855 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.3 t90 -53.7 126.63 22.64 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 72.45 110.927 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 29.3 p -108.17 -178.53 3.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.43 . . . . 65.31 111.168 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -78.31 -107.24 0.19 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.743 -0.741 . . . . 71.31 112.449 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.9 m -119.06 -69.51 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.925 0.393 . . . . 71.21 110.854 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 49.5 m-70 -129.76 60.07 1.6 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 72.42 110.908 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -113.95 30.44 7.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 74.33 110.875 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 45.9 p -82.87 168.52 17.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.167 -0.47 . . . . 53.51 111.162 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.18 134.42 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 64.45 110.882 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.3 mt-30 -57.61 140.1 51.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 72.41 110.909 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -103.6 163.11 12.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.885 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 64.6 t -121.73 -67.78 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 53.41 111.156 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.4 p -98.21 152.56 19.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 73.43 110.944 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -102.44 132.7 48.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 73.12 110.921 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -106.05 133.06 51.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.23 110.914 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.671 ' CD1' HD12 ' A' ' 67' ' ' LEU . 48.9 m-85 -121.0 156.31 32.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 64.12 110.903 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.531 HG23 ' O ' ' A' ' 27' ' ' LEU . 1.3 m -78.24 -49.84 13.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 75.52 111.126 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.4 172.68 7.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 71.14 111.179 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 69' ' ' ILE . 6.1 ttt180 -71.59 -49.39 40.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 71.53 110.847 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -52.37 -29.46 24.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.21 110.89 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.671 HD12 ' CD1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -60.19 -43.69 95.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.912 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.61 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -63.33 -50.36 70.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 72.52 111.077 179.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.8 mp -64.51 -32.9 59.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 75.25 111.163 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.02 -24.94 67.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 52.31 111.095 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -80.96 -49.13 11.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.256 -0.429 . . . . 73.32 110.934 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.3 -54.69 29.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.51 111.105 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.3 t -51.99 -33.02 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 74.23 111.125 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.76 -29.94 20.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 75.11 111.113 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -122.64 24.62 9.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.881 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 15.5 mmtp 51.99 43.83 30.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.897 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 73.7 mt -94.84 140.83 16.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 64.43 111.127 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -72.25 107.31 4.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 73.42 110.901 179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.55 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.6 p90 -100.64 137.23 39.32 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.2 -0.455 . . . . 74.52 110.92 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.2 t -117.45 139.12 51.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.22 111.16 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.41 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.6 m -97.62 120.34 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 42.13 111.137 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 20.8 mt -108.78 115.47 30.15 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.215 -0.448 . . . . 74.33 110.927 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -129.97 152.95 48.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.863 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -56.02 132.35 49.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 72.15 110.885 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 47.0 t30 55.1 70.25 1.69 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.673 0.749 . . . . 62.23 110.828 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 142.75 48.65 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.71 2.273 . . . . 71.04 112.326 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -66.52 151.75 46.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 62.33 110.89 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 6.1 t -142.47 145.14 33.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.482 . . . . 74.31 111.087 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.6 mt 65.51 150.01 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 64.54 111.098 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.08 156.0 74.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.606 0.717 . . . . 74.45 111.175 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 161.98 43.84 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.639 2.226 . . . . 71.04 112.365 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -142.52 120.78 12.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 63.03 110.903 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 p -166.49 120.17 1.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 64.22 110.862 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -167.35 124.71 1.21 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 72.02 110.946 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.54 163.4 22.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 63.44 111.074 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -159.33 107.25 1.78 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.816 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -125.59 178.76 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 73.11 110.924 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -149.95 126.36 10.82 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 72.4 110.887 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.3 m -127.56 85.35 2.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 73.4 111.156 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 22.6 ttmt -130.61 71.82 82.16 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.545 0.688 . . . . 71.3 110.893 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.79 173.97 10.23 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.719 2.279 . . . . 71.35 112.28 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.97 157.38 40.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 65.15 110.841 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -151.91 168.75 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 72.42 110.837 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 28.4 ttm . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.154 -0.476 . . . . 63.11 110.879 179.95 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.1 mmt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.75 0.309 . . . . 75.31 110.913 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -137.35 115.38 11.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 64.32 110.884 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -165.18 142.18 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 64.24 110.906 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 53.0 mm-40 -97.5 92.41 5.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 63.11 110.933 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -172.3 146.87 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 53.33 111.101 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.3 t -102.45 107.05 17.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 53.03 110.846 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -151.48 161.78 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.918 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 19.8 m -107.36 -177.68 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 75.22 111.067 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.8 mtp180 -143.4 148.75 36.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 73.43 110.882 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.73 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.02 119.04 38.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 54.32 111.159 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 mtm180 -95.92 102.82 14.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.859 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.587 HG12 HD23 ' A' ' 32' ' ' LEU . 61.9 mt -104.23 132.78 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 71.42 111.135 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -151.05 149.81 29.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.12 -0.491 . . . . 75.42 110.91 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.3 ttpp -110.19 89.85 8.97 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.572 0.701 . . . . 74.31 110.842 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 153.17 68.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.713 2.275 . . . . 65.33 112.354 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -93.2 132.0 37.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 71.23 111.04 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -136.55 173.78 11.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 71.04 110.891 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.2 m -80.97 139.04 36.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 70.53 110.856 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.6 p -116.73 -40.79 3.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.118 -0.492 . . . . 75.14 111.167 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.7 mtp 61.62 35.66 17.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 61.41 110.862 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 54.21 48.72 20.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 71.11 110.913 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.2 p -73.38 139.7 46.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 73.42 110.907 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -60.29 -90.89 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.754 . . . . 71.22 112.458 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 46.5 m80 -75.66 141.82 42.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.87 0.367 . . . . 75.23 110.828 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.6 t -120.99 71.49 0.94 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.128 -0.487 . . . . 60.25 110.823 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -102.47 47.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 75.21 110.891 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.56 168.51 14.18 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 72.31 110.891 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -54.43 120.56 6.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.473 . . . . 73.01 110.923 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.591 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -108.96 -38.17 5.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 73.13 111.109 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.8 m95 -109.16 140.13 43.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.26 -0.427 . . . . 74.44 110.92 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -106.06 134.22 49.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 71.33 110.912 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.73 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.6 tm? -125.52 124.61 41.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 65.02 110.935 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.49 ' N ' HD22 ' A' ' 32' ' ' LEU . 6.6 tp10 -130.11 103.38 6.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 71.44 110.876 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 29.3 p90 -86.05 141.18 29.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.912 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -58.06 160.21 9.27 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.658 0.742 . . . . 72.0 110.873 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.63 126.91 13.96 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.669 2.246 . . . . 64.01 112.369 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 p -104.32 -26.27 12.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 54.24 110.833 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.6 m 63.32 35.62 12.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 61.23 110.834 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 12.9 t -103.99 147.71 27.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.151 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.2 mt-30 -74.85 88.98 2.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 71.13 110.919 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -93.65 81.6 4.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.95 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -96.31 85.25 3.91 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.093 -0.503 . . . . 72.51 111.132 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -175.6 71.78 0.27 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.648 0.737 . . . . 73.22 110.929 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 115.65 4.19 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.718 2.279 . . . . 73.32 112.31 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.0 mt -93.49 177.84 5.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.936 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.0 ptm -143.42 165.88 26.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 64.34 110.844 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.419 HD22 ' N ' ' A' ' 47' ' ' ASN . 0.0 OUTLIER -172.99 -178.9 1.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 62.52 110.897 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -66.43 -57.98 6.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 74.51 110.925 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 24.1 p -80.84 77.4 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 61.31 111.194 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 153.64 52.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 55.02 112.476 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.6 m -73.24 -28.81 62.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 74.15 110.802 -179.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -54.1 165.86 0.45 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 73.2 110.881 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -55.33 140.4 39.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 72.12 110.845 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.5 m -95.64 41.14 1.1 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.078 -0.51 . . . . 45.22 111.128 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 19.2 ptmt -54.74 173.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.304 -0.407 . . . . 74.5 110.917 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -71.18 93.92 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 72.41 110.93 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 11.7 mt-30 -106.64 160.61 15.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 74.41 110.946 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.1 m -113.44 -29.49 2.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 73.14 111.103 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 71.8 m -89.77 130.72 35.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.207 -0.452 . . . . 74.24 110.9 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.7 mt -112.22 146.61 37.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 71.04 110.872 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -126.47 122.17 34.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 75.21 110.883 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -117.33 143.28 46.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.04 110.868 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.591 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 5.9 m -68.31 -50.33 54.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.107 -0.497 . . . . 74.25 111.146 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.2 162.39 16.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.482 . . . . 75.42 111.094 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.701 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.2 ptt180 -66.66 -47.08 73.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 74.51 110.872 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -51.77 -30.49 23.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 52.42 110.858 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.3 mt -68.84 -39.07 80.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 72.1 110.929 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.3 -61.55 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 72.32 111.119 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.701 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.5 mp -53.69 -34.06 23.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.426 . . . . 75.24 111.109 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.87 -24.03 55.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.21 -0.45 . . . . 74.24 111.15 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -81.86 -45.24 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 74.24 110.943 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.21 14.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 52.02 111.097 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.428 HG23 HG22 ' A' ' 69' ' ' ILE . 98.9 t -51.61 -30.23 11.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.21 111.125 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -53.99 -28.57 38.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.113 -0.494 . . . . 75.05 111.194 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.5 m170 -126.75 24.93 6.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 73.43 110.878 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 51.83 44.8 29.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.452 . . . . 64.13 110.92 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 80.0 mt -92.34 141.93 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 54.42 111.146 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.22 102.13 2.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.157 -0.474 . . . . 62.45 110.837 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.458 ' CE2' HG23 ' A' ' 69' ' ' ILE . 54.0 p90 -99.97 133.82 43.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 70.33 110.917 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -116.95 121.53 41.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 74.5 111.116 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.3 m -95.73 124.61 48.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 73.42 111.131 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.5 tp -109.37 114.99 29.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 75.54 110.901 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -102.51 157.85 16.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.127 -0.488 . . . . 73.23 110.909 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.73 -36.35 83.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 60.51 110.897 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -164.7 143.08 5.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.603 0.716 . . . . 61.54 110.914 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 111.54 2.85 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.663 2.242 . . . . 54.3 112.347 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -52.13 -60.68 2.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 70.42 110.878 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.9 t -140.74 137.14 33.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 64.22 111.145 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.45 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.7 pp -131.22 142.77 42.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 62.21 111.083 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 54.0 t 52.13 73.83 0.89 Allowed Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.561 0.696 . . . . 75.13 111.171 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 155.79 64.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.68 2.253 . . . . 63.22 112.352 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.0 tttp -57.72 -68.34 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.918 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.0 p -173.13 174.85 3.33 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.157 -0.474 . . . . 70.35 110.833 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 78.1 t80 -172.42 125.45 0.51 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 64.0 110.889 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.95 156.46 17.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 65.24 111.124 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -139.49 110.94 7.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 75.23 110.946 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 13.9 p-10 -157.56 155.57 30.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 75.11 110.866 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -128.48 119.0 24.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 71.41 110.887 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.8 t -144.7 124.88 13.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.107 -0.497 . . . . 73.51 111.149 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.4 ptpt -51.58 156.97 1.98 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.565 0.698 . . . . 45.13 110.93 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.84 -29.21 23.83 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.66 2.24 . . . . 53.31 112.35 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 60.39 28.34 17.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.873 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -108.4 118.47 36.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.469 . . . . 75.11 110.858 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 33.9 mtt . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 54.34 110.843 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.696 0.284 . . . . 72.15 110.867 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 -115.53 28.38 8.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 54.51 110.913 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -111.6 116.79 31.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 71.13 110.887 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -135.09 178.27 7.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 72.43 110.92 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.8 p -167.68 139.35 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 73.15 111.152 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 p -95.89 131.17 42.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 73.43 110.847 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -155.73 175.9 13.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 73.43 110.934 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -110.53 -179.93 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 73.44 111.193 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -143.74 155.05 44.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.869 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.777 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -117.26 151.82 36.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 44.41 111.058 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -118.96 103.11 9.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 73.15 110.908 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.526 HD12 ' HD2' ' A' ' 79' ' ' TYR . 70.9 mt -102.55 119.14 50.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 65.12 111.096 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 53.1 t80 -123.59 144.88 49.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 74.13 110.939 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.2 ttpt -109.52 89.65 7.67 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.562 0.696 . . . . 73.12 110.863 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 102.57 1.05 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.627 2.218 . . . . 74.32 112.357 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -109.94 112.46 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 63.45 111.091 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 16.8 ptpt -169.39 -177.45 2.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 64.33 110.897 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 52.6 p -66.99 177.03 1.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.814 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -66.02 104.59 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 71.22 111.111 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 4.6 ttt -53.8 170.61 0.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 74.52 110.828 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -77.05 -34.23 57.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 75.01 110.891 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.3 m -119.65 127.0 52.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 51.31 110.856 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 100.72 -46.29 1.34 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.731 -0.747 . . . . 34.54 112.504 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 52.15 35.98 17.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.809 0.338 . . . . 75.41 110.834 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 m 55.41 43.27 29.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 70.22 110.866 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -69.41 97.16 0.95 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 71.43 110.949 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.9 mt 52.48 37.27 22.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 61.34 110.903 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.8 pttt -156.83 111.44 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.125 -0.489 . . . . 75.21 110.873 179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -116.83 -29.01 6.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 61.51 111.116 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -109.17 155.77 20.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 72.33 110.871 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 ttmt -123.53 130.91 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 63.02 110.881 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.799 HD11 ' CD2' ' A' ' 34' ' ' PHE . 1.7 tm? -124.0 122.6 38.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.96 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.603 ' N ' HD22 ' A' ' 32' ' ' LEU . 2.2 tm-20 -121.74 101.8 7.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.429 . . . . 64.52 110.885 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.799 ' CD2' HD11 ' A' ' 32' ' ' LEU . 1.8 m-85 -82.03 147.27 29.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 73.51 110.897 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -70.91 159.79 84.35 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.63 0.729 . . . . 73.2 110.934 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 143.85 52.01 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.645 2.23 . . . . 60.23 112.325 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.9 m -126.0 -72.93 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 73.3 110.838 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 71.3 m -143.43 163.2 33.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 74.4 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.8 t -58.87 139.46 56.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 74.12 111.125 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -121.63 134.54 54.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 74.23 110.944 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -80.45 73.12 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 63.33 110.903 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 54.5 p -62.18 139.5 58.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.084 -0.507 . . . . 72.2 111.159 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -158.18 68.5 3.74 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.636 0.732 . . . . 73.53 110.888 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 154.4 67.56 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.673 2.249 . . . . 61.42 112.378 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 15.5 tp -56.71 -54.18 49.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.53 110.856 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 9.2 tpt -65.73 124.45 22.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 63.4 110.849 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.9 m-80 -74.74 116.63 15.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.22 110.909 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -95.83 173.23 7.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.89 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 25.2 p -88.13 136.39 32.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 72.12 111.158 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -58.32 138.09 49.33 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 51.12 112.48 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -134.71 134.76 41.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 72.1 110.902 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -90.67 -52.35 4.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.853 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -86.63 113.69 22.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.905 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.3 t -171.36 157.96 5.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.456 . . . . 73.11 111.17 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.0 mttm -92.07 -177.61 4.74 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.239 -0.437 . . . . 65.25 110.944 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -120.25 25.21 10.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 72.03 110.957 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -98.71 132.8 43.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 75.22 110.845 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 21.8 t -126.6 146.16 32.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.122 -0.49 . . . . 73.52 111.104 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.9 p -143.81 154.98 43.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.923 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.5 HD21 HD12 ' A' ' 32' ' ' LEU . 0.8 OUTLIER -135.14 168.17 19.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.23 110.878 -179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 84.2 p -112.01 146.2 38.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.195 -0.457 . . . . 43.54 110.823 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 15.1 m-85 -117.74 173.56 6.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 54.1 110.888 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.29 -38.1 9.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 62.22 111.14 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -136.78 151.71 49.5 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.196 -0.456 . . . . 73.23 111.102 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 69' ' ' ILE . 5.4 ptp180 -56.07 -40.55 73.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.14 110.863 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 56.1 mt-10 -51.38 -30.59 19.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 64.44 110.807 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.6 mt -80.36 -34.6 36.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.144 -0.48 . . . . 62.45 110.845 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.42 -59.4 3.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 75.31 111.116 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.64 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 4.4 mp -59.04 -34.62 53.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 74.15 111.159 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -57.09 -31.49 65.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.101 -0.5 . . . . 50.21 111.081 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.519 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.9 OUTLIER -69.98 -57.29 5.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 65.43 110.949 -179.874 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.7 -53.2 57.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.075 -0.511 . . . . 63.31 111.133 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 69' ' ' ILE . 91.4 t -53.33 -32.16 19.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.191 -0.459 . . . . 71.1 111.081 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.519 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -53.2 -35.31 59.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 70.1 111.149 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -122.69 17.71 10.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 72.33 110.864 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.26 47.4 24.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 72.41 110.914 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.538 HD13 ' CE1' ' A' ' 34' ' ' PHE . 30.1 mt -92.84 142.11 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.34 111.083 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.11 97.86 1.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 72.14 110.829 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.64 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 44.5 p90 -101.85 139.13 37.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 73.24 110.915 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.4 t -110.69 138.1 47.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 45.3 111.093 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 56.7 t -104.6 114.17 43.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.03 111.182 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 82' ' ' LEU . 4.4 mm? -109.08 117.32 33.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 75.42 110.88 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -128.19 156.77 42.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 73.21 110.928 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -130.87 117.67 19.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 73.14 110.848 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 60.44 70.67 0.96 Allowed Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.625 0.726 . . . . 73.35 110.888 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 101.62 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.79 2.327 . . . . 74.33 112.366 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 29.8 ttt180 -86.33 74.65 9.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.274 -0.421 . . . . 75.53 110.826 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 73.8 m -103.28 76.69 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 61.53 111.232 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.428 HG22 ' N ' ' A' ' 90' ' ' VAL . 17.0 mm -95.5 158.11 3.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 54.03 111.119 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.428 ' N ' HG22 ' A' ' 89' ' ' ILE . 3.8 m -52.87 155.83 3.85 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.638 0.732 . . . . 54.52 111.135 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 126.04 12.84 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.628 2.219 . . . . 74.55 112.325 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -128.38 131.07 48.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 74.03 110.909 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 20.2 m -95.8 -69.67 0.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.846 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -169.55 128.01 0.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 63.52 110.861 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.34 133.6 48.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 75.2 111.185 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -172.76 160.09 4.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.274 -0.421 . . . . 72.31 110.888 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.7 t30 -114.56 138.0 51.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 71.22 110.902 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -103.17 154.36 19.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 73.21 110.868 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.535 HG22 ' HD3' ' A' ' 101' ' ' PRO . 1.6 m -149.89 131.58 14.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.055 -0.52 . . . . 73.2 111.151 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.2 tptm -130.59 69.75 82.3 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.525 0.678 . . . . 74.21 110.889 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.535 ' HD3' HG22 ' A' ' 99' ' ' THR . 53.6 Cg_endo -69.7 153.55 69.06 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.734 2.29 . . . . 74.35 112.377 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.3 ptt85 -90.08 151.02 21.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 74.03 110.82 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -124.65 165.41 17.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 61.05 110.856 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.21 -0.45 . . . . 51.21 110.846 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.726 0.298 . . . . 75.31 110.911 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.3 tt0 -163.02 130.51 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 71.33 110.906 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 63.1 tt0 -168.46 123.1 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.485 . . . . 75.0 110.837 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 43.9 mm-40 -125.33 176.52 6.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.112 -0.495 . . . . 64.55 110.944 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -132.9 25.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 42.54 111.08 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -104.7 -68.7 0.84 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 74.42 110.825 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -120.78 149.51 42.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.845 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.539 ' O ' HG23 ' A' ' 77' ' ' ILE . 16.4 m -69.44 172.36 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 74.44 111.168 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -125.9 146.11 49.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 72.24 110.88 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.737 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -105.43 119.93 40.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 64.53 111.052 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -99.64 103.15 14.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 74.23 110.881 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.587 ' CG1' HD23 ' A' ' 32' ' ' LEU . 54.7 mt -95.83 139.7 18.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 61.13 111.121 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.7 t80 -142.61 146.8 34.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 62.15 110.862 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -108.73 89.58 6.48 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.569 0.699 . . . . 71.34 110.829 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 162.17 43.14 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.739 2.293 . . . . 72.14 112.286 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.97 166.02 13.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 60.24 111.11 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.2 ptmt -72.21 176.84 4.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.257 -0.429 . . . . 74.44 110.854 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.9 t -148.95 160.32 43.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 74.13 110.829 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.34 135.58 44.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.143 -0.481 . . . . 71.22 111.121 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.7 ttt 52.63 53.65 11.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 63.31 110.894 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -113.46 85.72 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 63.33 110.901 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 87.9 p -115.46 148.84 38.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.42 110.898 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.91 -86.98 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.826 -0.702 . . . . 64.13 112.53 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -116.75 -36.01 4.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.777 0.322 . . . . 63.13 110.83 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 7.1 m -153.11 138.23 17.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 62.01 110.809 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.3 tptm -102.33 40.3 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.078 -0.51 . . . . 74.14 110.91 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.7 mp -126.62 68.66 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 75.15 110.857 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tmmm? -141.82 126.44 17.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 71.34 110.877 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -131.62 -40.38 1.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 64.33 111.064 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.1 m95 -111.11 158.38 18.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 70.35 110.882 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -126.32 152.27 46.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 54.42 110.908 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.4 tm? -143.58 134.71 25.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 71.35 110.982 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.482 ' N ' HD13 ' A' ' 32' ' ' LEU . 5.1 tp10 -133.81 104.16 6.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 71.34 110.91 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -86.33 138.38 31.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.069 -0.514 . . . . 73.15 110.895 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -63.97 160.22 48.82 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.593 0.711 . . . . 70.12 110.908 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 140.15 41.9 Favored 'Trans proline' 0 N--CA 1.465 -0.197 0 C-N-CA 122.678 2.252 . . . . 53.44 112.38 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.9 t -110.43 -73.01 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 53.21 110.846 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 30.1 p -163.27 163.06 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 71.44 110.862 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.8 m -67.55 128.68 37.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 65.53 111.163 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -73.21 147.03 45.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 60.51 110.936 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -84.6 156.86 21.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.449 . . . . 62.53 110.912 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 p -59.28 172.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 53.11 111.165 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -137.7 160.54 64.56 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.549 0.69 . . . . 74.32 110.936 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 -17.51 37.47 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.672 2.248 . . . . 74.44 112.368 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 pp -113.17 29.48 7.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 54.33 110.92 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -58.79 151.88 20.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 65.41 110.898 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.4 t30 -89.23 117.2 28.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 74.33 110.841 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 9.1 m95 -84.45 155.62 22.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.124 -0.489 . . . . 65.31 110.957 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.3 m 64.28 44.62 4.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 65.14 111.145 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -129.1 -150.85 7.22 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.715 -0.755 . . . . 73.05 112.509 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.6 m -80.8 171.53 14.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.835 0.35 . . . . 72.44 110.895 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.4 p-80 -92.62 153.45 19.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 64.21 110.927 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -71.21 143.35 50.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.272 -0.422 . . . . 74.35 110.925 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -170.73 164.99 8.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 75.31 111.151 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.9 mtmp? -96.27 120.68 37.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 61.13 110.869 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.486 ' O ' HG13 ' A' ' 58' ' ' VAL . 16.2 mt-30 -146.23 124.85 12.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 74.52 110.874 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.71 128.62 30.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 62.34 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.486 HG13 ' O ' ' A' ' 56' ' ' GLN . 25.0 m -126.16 136.12 61.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 55.12 111.159 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.8 p -120.69 154.46 35.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 70.12 110.891 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.802 HD11 ' CE2' ' A' ' 62' ' ' PHE . 1.4 pp -127.12 170.45 12.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 73.45 110.947 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.537 ' N ' HD12 ' A' ' 60' ' ' LEU . 0.7 OUTLIER -126.95 140.64 52.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.828 -179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.802 ' CE2' HD11 ' A' ' 60' ' ' LEU . 36.5 m-85 -109.97 158.42 18.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.074 -0.512 . . . . 74.11 110.845 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.51 -44.84 14.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.066 -0.516 . . . . 73.42 111.206 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.1 p -123.65 154.15 39.76 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.191 -0.458 . . . . 74.42 111.155 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.57 ' O ' HD12 ' A' ' 69' ' ' ILE . 10.5 ttt180 -53.42 -53.46 50.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.278 -0.419 . . . . 73.01 110.89 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -53.2 -28.65 27.85 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.154 -0.475 . . . . 64.43 110.876 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.59 -33.82 76.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 62.2 110.914 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.436 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -73.88 -49.85 23.01 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 65.01 111.109 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 65' ' ' ARG . 5.0 mp -66.91 -32.77 59.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 61.41 111.126 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.56 -25.31 67.92 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.42 111.109 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 28.4 t80 -79.34 -50.73 10.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 73.54 110.992 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.37 -56.15 18.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 74.15 111.088 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 69' ' ' ILE . 93.0 t -51.86 -31.01 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 63.13 111.152 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.1 -30.67 27.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 43.24 111.121 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 42.9 t60 -124.23 25.23 7.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 63.21 110.851 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.5 mmtp 51.97 55.29 9.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 53.45 110.915 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.539 HG23 ' O ' ' A' ' 8' ' ' VAL . 66.4 mt -106.62 142.97 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 63.05 111.109 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 -71.29 104.15 3.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.24 110.895 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.528 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.0 p90 -100.57 135.93 41.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.216 -0.447 . . . . 72.22 110.941 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.4 t -121.27 121.59 38.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 71.22 111.177 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 81' ' ' VAL . 18.5 m -88.53 122.07 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 74.33 111.094 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 58.0 mt -109.19 108.09 18.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 71.31 110.896 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -110.77 162.84 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.31 110.938 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -53.05 -54.42 35.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 70.41 110.852 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -130.44 161.33 61.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.683 0.754 . . . . 73.44 110.824 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 176.58 6.65 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 72.32 112.327 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -140.17 143.93 36.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 71.1 110.901 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 11.8 t -97.98 151.02 20.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 55.53 111.097 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 20.8 pt -111.52 167.99 4.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 72.44 111.086 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.6 m -135.62 72.91 62.86 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.62 0.724 . . . . 52.24 111.135 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.17 62.37 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.72 2.28 . . . . 64.31 112.373 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.93 170.84 9.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 63.13 110.895 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 t -166.6 140.82 4.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.268 -0.424 . . . . 52.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -160.56 114.48 2.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.098 -0.501 . . . . 75.21 110.926 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.56 133.94 50.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 70.45 111.048 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -78.72 149.39 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 72.14 110.876 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.4 t30 -67.64 121.78 16.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 71.43 110.936 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 50.9 p90 -122.38 159.14 28.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 72.32 110.877 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 14.9 t -152.47 164.43 37.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 71.34 111.187 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 18.7 tttp -93.18 137.64 23.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.596 0.712 . . . . 71.11 110.914 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -174.39 0.9 Allowed 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.748 2.299 . . . . 64.3 112.344 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -112.51 122.74 48.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 74.43 110.887 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -116.03 175.56 5.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 75.03 110.838 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.7 ttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 74.53 110.856 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.792 0.33 . . . . 73.35 110.914 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -60.36 160.86 8.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.237 -0.438 . . . . 72.41 110.915 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.7 mm-40 -131.34 134.83 46.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 62.02 110.912 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -91.89 103.81 16.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 73.15 110.954 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 17.6 m -105.07 44.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.451 . . . . 51.25 111.102 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 t -115.72 153.81 30.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 52.23 110.845 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -84.16 -70.6 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 63.43 110.89 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.429 ' O ' HG23 ' A' ' 77' ' ' ILE . 21.3 m -117.25 178.54 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 72.12 111.094 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -137.26 146.83 45.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.14 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.701 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.05 128.9 48.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 42.35 111.103 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -105.1 102.93 12.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.882 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.479 HG12 HD23 ' A' ' 32' ' ' LEU . 60.6 mt -106.21 117.44 51.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 72.1 111.102 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 25.0 p90 -137.7 150.55 47.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.212 -0.449 . . . . 63.03 110.92 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.411 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 32.7 tptt -114.91 90.13 21.77 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.561 0.696 . . . . 74.43 110.938 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.4 Cg_endo -69.78 136.04 31.95 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.704 2.269 . . . . 72.35 112.438 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.18 141.44 49.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.284 -0.417 . . . . 64.24 111.055 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 12.7 mmtp -144.33 140.0 28.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 65.13 110.783 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 4.6 t -114.8 30.71 7.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 51.33 110.855 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -111.46 74.01 0.85 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.117 -0.492 . . . . 63.34 111.124 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.6 ttt -67.38 98.79 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 72.21 110.919 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 15.3 mt-30 -64.42 157.86 25.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 62.13 110.906 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.9 m -102.33 -179.79 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 73.41 110.893 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.3 -80.52 1.13 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.669 -0.777 . . . . 63.35 112.593 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -91.32 151.59 20.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 75.31 110.89 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 52.9 p -114.27 42.49 2.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.822 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.76 138.5 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 63.32 110.89 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.46 176.36 5.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 74.35 110.933 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.1 pttp -52.17 118.44 3.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 74.11 110.912 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.54 -51.35 2.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.452 . . . . 74.22 111.094 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.0 m95 -88.28 152.53 21.88 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 75.05 110.906 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.2 mmtm -120.41 117.03 26.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 72.45 110.879 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.701 HD21 ' HB1' ' A' ' 10' ' ' ALA . 3.1 tm? -103.2 131.51 50.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 62.23 110.884 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.459 ' H ' HD22 ' A' ' 32' ' ' LEU . 2.9 mm-40 -138.78 104.09 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 65.23 110.926 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -85.22 138.56 32.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 73.11 110.875 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -72.67 160.14 83.58 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 75.32 110.936 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.78 150.92 68.73 Favored 'Trans proline' 0 N--CA 1.465 -0.196 0 C-N-CA 122.718 2.279 . . . . 53.33 112.4 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -100.78 -177.86 3.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.253 -0.43 . . . . 74.14 110.862 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.6 t -95.07 -55.32 3.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 74.12 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.6 p -62.6 159.11 16.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 63.44 111.144 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -85.15 151.77 23.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.245 -0.434 . . . . 74.11 110.908 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 7.5 t80 -87.89 164.5 15.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 75.22 110.917 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -57.51 149.88 20.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 71.41 111.147 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.59 160.55 59.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.684 0.754 . . . . 64.42 110.878 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 149.95 67.56 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.693 2.262 . . . . 52.23 112.331 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -125.81 162.54 24.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.182 -0.463 . . . . 61.04 110.894 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.7 ptm -70.86 174.68 5.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 51.12 110.919 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.7 t30 -162.32 161.32 27.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.265 -0.425 . . . . 73.44 110.944 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 30.1 p90 -121.19 26.02 9.2 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.248 -0.433 . . . . 73.15 110.937 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -66.22 175.56 2.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.23 -0.441 . . . . 72.03 111.145 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -62.56 -99.33 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.786 -0.721 . . . . 35.53 112.548 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.3 m -134.25 65.35 1.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 63.4 110.859 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 13.4 m-70 -86.33 113.43 22.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 72.45 110.897 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -63.26 147.84 49.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 63.4 110.836 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -63.83 99.81 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 72.43 111.219 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 30.7 ttmt -162.45 121.86 2.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.243 -0.435 . . . . 74.41 110.933 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -96.43 131.11 43.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 74.02 110.895 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.1 tp-100 -87.78 129.31 35.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 75.01 110.882 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 16.6 m -103.19 -32.65 3.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 64.5 111.156 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 4.8 t -85.12 147.45 26.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 61.32 110.885 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.5 mt -126.62 156.69 40.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 72.32 110.917 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -138.56 141.24 39.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 73.31 110.889 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -131.89 143.84 50.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 75.34 110.841 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.5 m -71.18 -48.79 49.6 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.038 -0.528 . . . . 75.02 111.198 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -117.65 177.54 4.72 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.218 -0.446 . . . . 64.43 111.171 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.576 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -77.16 -48.26 18.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 61.44 110.892 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.584 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.1 tp10 -50.1 -30.18 10.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 60.44 110.944 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.5 tp -79.24 -38.05 36.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.109 -0.496 . . . . 74.03 110.893 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -71.8 -64.79 0.86 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.067 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.576 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.0 mp -51.23 -31.55 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 64.21 111.103 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -51.18 -47.38 62.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.118 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.413 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 80.3 t80 -51.87 -50.7 60.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 74.0 110.885 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.423 ' HB1' ' O ' ' A' ' 77' ' ' ILE . . . -63.55 -55.55 23.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.097 -0.501 . . . . 61.15 111.1 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.5 HG23 HG22 ' A' ' 69' ' ' ILE . 99.1 t -51.45 -30.7 11.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 75.31 111.109 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.413 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.14 -35.83 49.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 62.44 111.059 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.7 t-80 -126.47 25.83 6.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.907 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.62 45.4 28.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.912 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.429 HG23 ' O ' ' A' ' 8' ' ' VAL . 53.4 mt -91.09 141.88 13.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 63.32 111.129 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 33.5 t0 -71.3 107.43 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.205 -0.452 . . . . 51.5 110.883 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.456 ' CE1' HG23 ' A' ' 69' ' ' ILE . 53.3 p90 -101.61 130.03 47.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 60.42 110.979 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.5 t -105.89 133.89 49.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 70.22 111.116 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 81' ' ' VAL . 9.2 m -105.83 110.98 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.136 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 18.1 mt -109.26 117.43 34.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.918 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -118.68 138.65 52.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 71.11 110.897 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -138.84 129.04 25.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.4 110.891 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 54.43 73.37 0.91 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.661 0.743 . . . . 71.0 110.846 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 131.83 22.03 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.687 2.258 . . . . 73.22 112.348 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 25.8 ttt180 -132.91 136.23 46.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 73.21 110.899 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 10.3 t -159.26 136.39 9.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 71.32 111.13 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 26.4 pt -147.73 167.18 5.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.211 -0.449 . . . . 61.52 111.17 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.9 t -129.47 71.99 82.01 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 62.43 111.17 179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 145.18 56.29 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.698 2.265 . . . . 65.14 112.316 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.76 91.71 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.258 -0.428 . . . . 73.02 110.916 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 p -56.56 121.25 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 64.1 110.882 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 32.6 t80 -157.63 113.31 2.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 74.33 110.9 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -55.04 159.06 2.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 74.11 111.068 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -127.66 120.28 27.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 51.54 110.969 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 61.91 31.1 18.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 52.21 110.914 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -104.78 111.23 23.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 74.11 110.866 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 39.9 p -133.94 136.81 44.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 72.21 111.183 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.92 73.62 33.03 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.575 0.702 . . . . 73.22 110.916 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 172.65 12.25 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.686 2.257 . . . . 62.34 112.279 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -102.39 104.89 15.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.34 110.825 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -142.42 143.52 32.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 64.22 110.901 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 12.7 mtt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.22 -0.445 . . . . 70.45 110.869 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.8 ttm . . . . . 0 N--CA 1.458 -0.074 0 CA-C-O 120.74 0.305 . . . . 73.34 110.852 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -120.89 164.83 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 73.11 110.87 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -145.21 178.72 7.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 54.2 110.894 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -123.77 156.24 36.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 71.34 110.921 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.0 t -137.59 141.28 39.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 71.31 111.162 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -111.93 -74.2 0.65 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.31 110.839 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 -76.01 168.22 20.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.094 -0.503 . . . . 71.14 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -72.21 -178.73 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 74.11 111.121 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -143.72 145.49 32.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 73.22 110.808 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.06 125.96 52.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 74.31 111.107 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -108.03 102.91 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 73.03 110.852 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.663 HG12 HD23 ' A' ' 32' ' ' LEU . 46.6 mt -94.81 141.77 14.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 61.34 111.09 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.2 t80 -141.56 130.19 22.74 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 72.44 110.944 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -79.62 152.96 75.77 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.589 0.709 . . . . 71.3 110.878 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 157.54 60.09 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.632 2.222 . . . . 75.03 112.386 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -67.97 162.43 24.4 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 73.43 111.098 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -79.01 -36.08 41.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.43 . . . . 74.42 110.904 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.8 t -108.24 81.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 73.23 110.893 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 t -99.37 35.46 1.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 73.53 111.175 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.3 mtm -101.49 64.45 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.204 -0.453 . . . . 64.42 110.832 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -104.82 -52.55 2.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 72.24 110.927 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.9 m -114.63 -73.07 0.67 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 52.13 110.911 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -159.3 -168.97 22.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.69 -0.767 . . . . 51.0 112.487 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 39.7 m80 -124.88 139.9 53.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.798 0.332 . . . . 74.03 110.931 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 74.3 m -137.4 -179.29 5.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 73.33 110.805 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 40.2 mttm -127.93 42.97 3.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.509 . . . . 74.2 110.925 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 26.1 mt -101.97 -28.23 12.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 72.05 110.92 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.26 153.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 61.43 110.936 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.587 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -131.67 -44.72 0.98 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 64.12 111.095 179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 22.0 m95 -97.07 157.2 16.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.442 . . . . 74.21 110.918 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -111.14 139.29 46.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 74.13 110.868 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.663 HD23 HG12 ' A' ' 12' ' ' ILE . 3.2 tm? -135.8 129.81 33.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 74.43 110.921 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.494 ' N ' HD13 ' A' ' 32' ' ' LEU . 19.4 mm-40 -127.76 103.36 7.25 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.811 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 49.3 p90 -100.14 133.26 44.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.44 110.888 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -64.2 160.04 52.36 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.671 0.748 . . . . 75.24 110.913 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 153.31 68.93 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.684 2.256 . . . . 71.2 112.305 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -128.32 -69.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 72.22 110.807 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.8 m -152.31 169.32 22.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.141 -0.481 . . . . 72.2 110.837 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 5.1 t -79.95 124.45 28.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 53.41 111.114 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -144.44 166.55 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 73.05 110.927 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -127.85 88.45 2.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 44.35 110.937 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.3 p -104.17 12.17 34.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.07 -0.513 . . . . 72.33 111.148 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 69.9 tt0 -64.21 137.41 97.11 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.637 0.732 . . . . 75.31 110.858 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 148.56 65.17 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.663 2.242 . . . . 53.14 112.352 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.5 pp -117.04 28.51 8.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 75.14 110.905 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 5.7 ptt? -117.18 28.63 8.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 70.41 110.842 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -95.25 64.45 2.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.278 -0.419 . . . . 52.44 110.836 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 43.3 t-105 -52.47 -53.04 50.85 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.189 -0.459 . . . . 75.3 110.93 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.9 m -84.89 98.5 10.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.24 -0.436 . . . . 73.51 111.173 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 133.0 143.3 5.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.756 -0.735 . . . . 60.31 112.497 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 10.7 p -70.69 169.56 14.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.365 . . . . 74.3 110.861 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -69.61 129.27 39.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 64.14 110.88 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.13 -60.3 2.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 73.5 110.866 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.7 m 55.5 42.89 29.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 40.3 111.158 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -129.39 132.89 47.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.279 -0.419 . . . . 70.13 110.944 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -103.79 175.05 5.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 72.44 110.955 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -148.99 163.64 36.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 61.45 110.964 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.4 p -106.89 -32.2 2.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 71.22 111.071 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 23.9 m -83.86 117.25 23.19 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 72.22 110.929 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.582 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.7 tp -118.07 126.06 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 64.22 110.949 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -97.48 153.36 18.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 62.5 110.865 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.582 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 22.3 m-85 -137.47 157.79 45.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 71.12 110.913 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.587 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -64.11 -54.06 39.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 51.23 111.166 -179.898 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 46.8 p -137.98 166.94 22.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 72.24 111.138 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.737 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.9 OUTLIER -53.38 -41.68 66.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 72.03 110.878 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -51.71 -35.44 42.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.477 . . . . 42.52 110.883 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.461 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -67.48 -38.61 84.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 63.44 110.973 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.597 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -66.37 -60.71 2.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.064 -0.516 . . . . 71.15 111.1 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -55.36 -35.8 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 74.34 111.128 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -67.87 -24.48 65.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 63.43 111.079 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -79.73 -46.54 16.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.877 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.46 -55.68 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.012 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 69' ' ' ILE . 97.4 t -52.11 -32.37 15.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 64.41 111.131 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -51.91 -30.11 22.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 42.23 111.013 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -122.33 24.61 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 73.43 110.87 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? 51.93 55.58 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.446 . . . . 74.11 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.1 mt -108.78 143.12 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.267 -0.424 . . . . 73.52 111.111 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -72.37 104.51 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 72.1 110.879 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.551 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 52.2 p90 -100.36 130.92 46.52 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.2 -0.455 . . . . 73.34 111.003 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 t -113.8 124.96 53.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 73.4 111.189 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.62 114.73 26.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 60.31 111.091 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.1 tt -99.97 118.05 35.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 73.35 110.876 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -125.44 142.22 51.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 55.45 110.978 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -100.68 144.09 30.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.819 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 58.94 70.45 1.15 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.617 0.722 . . . . 73.23 110.925 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 144.33 53.75 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.664 2.243 . . . . 61.25 112.342 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 30.7 mmm180 -129.23 124.26 34.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.828 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.6 m -76.51 107.3 8.69 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.205 -0.452 . . . . 70.44 111.115 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 35.7 pt -104.55 170.74 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 75.11 111.135 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.483 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.0 p -133.09 77.92 66.34 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.561 0.696 . . . . 74.23 111.174 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 101.59 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.766 2.31 . . . . 63.12 112.36 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 17.3 pttt -56.6 142.49 39.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 72.11 110.898 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.4 p -79.62 142.86 35.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 74.1 110.881 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -166.71 128.06 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 72.31 110.907 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.76 147.75 23.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 42.14 111.113 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -152.44 146.11 25.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 64.31 110.875 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -67.15 108.94 2.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 64.23 110.898 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -70.05 125.8 27.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 75.53 110.901 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 10.3 p -59.95 124.18 19.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 65.02 111.135 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -124.8 69.94 57.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.586 0.708 . . . . 72.12 110.87 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 169.44 18.98 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.636 2.224 . . . . 63.33 112.351 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.5 ttt180 -116.78 119.33 35.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 41.44 110.854 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -163.14 130.92 3.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 75.31 110.876 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 8.6 mtp . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 63.43 110.848 179.897 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ppp? . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.742 0.305 . . . . 74.44 110.969 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -80.49 136.51 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 74.24 110.855 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -82.67 123.02 28.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 53.42 110.868 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 80.6 mt-30 -86.52 142.7 28.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 74.11 110.955 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.3 p -167.21 145.26 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.425 . . . . 74.43 111.168 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -71.23 -67.99 0.47 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 74.42 110.83 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 46.7 m-20 -56.24 170.9 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.119 -0.491 . . . . 64.13 110.878 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 m -74.88 -179.91 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.51 111.083 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -142.94 155.81 44.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 73.53 110.858 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.699 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.83 120.7 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 75.14 111.1 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -98.34 102.8 14.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 74.52 110.883 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.635 HG12 HD23 ' A' ' 32' ' ' LEU . 62.9 mt -102.91 137.81 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 61.0 111.099 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.9 p90 -161.04 144.87 13.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 75.14 110.932 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 45.6 tttm -115.8 137.68 23.44 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.523 0.677 . . . . 72.42 110.975 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 170.11 17.31 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.651 2.234 . . . . 72.24 112.341 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -113.39 165.1 12.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 62.02 111.134 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -61.53 121.08 11.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 75.32 110.836 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.2 m -77.92 175.41 10.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 73.13 110.827 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.4 t -127.28 29.04 5.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 71.41 111.11 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 22.5 tpp -98.73 -35.04 10.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.26 -0.427 . . . . 63.44 110.874 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 56.06 29.58 14.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 62.1 110.915 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 p -80.65 -63.57 1.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 72.12 110.871 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.06 176.21 20.16 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.709 -0.758 . . . . 54.51 112.497 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -143.51 169.05 18.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.738 0.304 . . . . 73.44 110.858 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 96.8 p -172.05 139.01 1.06 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 51.01 110.842 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 mtmt -119.44 34.05 5.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 72.05 110.877 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.4 mp -96.21 -37.31 10.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.456 . . . . 75.45 110.949 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mttp -127.51 123.95 37.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 73.24 110.918 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.71 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -114.86 -43.46 3.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 74.43 111.117 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 69.0 m95 -111.82 145.94 38.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 73.25 110.895 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.3 tttp -111.35 142.87 43.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.93 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.699 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -135.34 127.22 29.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.209 -0.45 . . . . 50.41 110.883 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.477 ' N ' HD22 ' A' ' 32' ' ' LEU . 7.1 tp10 -132.08 107.43 8.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 73.33 110.868 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -85.45 138.98 31.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 72.41 110.921 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.43 160.17 19.61 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 62.03 110.894 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 161.89 44.2 Favored 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.743 2.295 . . . . 64.15 112.308 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.13 119.41 3.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 63.41 110.87 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 90.0 m -73.81 113.87 11.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 74.14 110.896 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 18.0 p -120.17 164.87 15.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 64.14 111.175 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -123.25 30.87 6.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 71.45 110.887 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 37.2 m-85 -140.59 144.1 35.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 74.52 110.899 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 14.1 t -99.26 145.88 26.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 63.42 111.165 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -154.63 70.75 6.0 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.651 0.739 . . . . 64.43 110.793 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 149.56 66.95 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.666 2.244 . . . . 33.52 112.328 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 tp -122.26 111.96 17.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 63.31 110.901 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 ttt -66.33 -47.58 73.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 64.4 110.832 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.2 m-80 -66.52 121.89 16.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 65.44 110.872 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -168.43 138.75 2.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.094 -0.503 . . . . 75.34 110.97 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 3.1 m -79.19 118.5 21.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 71.42 111.18 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 103.07 118.66 4.5 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.782 -0.723 . . . . 65.4 112.448 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 50.3 m -74.27 -26.94 60.51 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.946 0.403 . . . . 52.22 110.888 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -52.68 -31.03 35.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.146 -0.479 . . . . 72.21 110.906 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -122.21 132.62 54.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 75.24 110.907 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 64.2 p -126.9 26.11 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 43.13 111.127 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.2 ptpt -137.73 178.25 7.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 74.25 110.904 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -104.01 102.39 12.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 75.43 110.985 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 20.2 mt-30 -66.52 163.94 17.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 65.01 110.958 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 26.4 t -78.78 -26.55 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.054 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 26.2 m -84.57 133.68 34.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 71.23 110.915 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.2 mt -120.58 146.81 45.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 72.1 110.931 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.5 t -126.95 134.74 50.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 74.51 110.811 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -132.12 130.18 40.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 74.54 110.851 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.71 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.6 m -59.47 -48.16 82.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 53.5 111.16 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.81 148.85 39.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.448 . . . . 75.14 111.144 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.728 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.2 OUTLIER -58.53 -42.89 88.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.46 . . . . 74.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -51.91 -30.23 23.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 70.13 110.923 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 tp -70.92 -38.87 72.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 55.3 110.85 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -68.4 -62.02 1.58 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 41.34 111.133 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.728 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.3 mp -53.16 -34.47 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 74.32 111.143 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -57.63 -26.05 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 53.2 111.051 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.482 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.2 t80 -79.66 -55.97 4.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.308 -0.406 . . . . 73.45 110.884 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.63 44.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 73.22 111.104 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.8 t -51.98 -33.16 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.119 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -54.46 -26.66 32.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 62.32 111.211 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -126.47 26.46 6.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 73.13 110.866 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.04 32.05 9.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.239 -0.437 . . . . 72.54 110.897 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.3 mt -80.66 139.01 18.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.263 -0.426 . . . . 73.34 111.141 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -71.94 105.95 4.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 70.51 110.893 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.526 ' CE2' HG23 ' A' ' 69' ' ' ILE . 50.7 p90 -100.87 137.89 38.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 74.15 110.953 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -118.62 120.87 38.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 71.34 111.149 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 22.0 t -93.83 118.34 39.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 64.23 111.134 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.8 mt -109.17 111.03 22.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.915 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -102.67 152.2 21.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 61.03 110.946 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -62.93 -36.38 83.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 50.52 110.855 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 29.6 m-80 -159.65 69.55 3.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.58 0.705 . . . . 75.34 110.923 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 163.12 39.47 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.691 2.261 . . . . 52.33 112.311 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -133.89 91.21 2.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 75.53 110.874 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.5 m -66.17 121.8 16.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 74.12 111.13 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.692 HG12 HG23 ' A' ' 90' ' ' VAL . 0.1 OUTLIER -68.64 168.71 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 75.23 111.127 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.692 HG23 HG12 ' A' ' 89' ' ' ILE . 60.3 t 51.16 74.56 0.78 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.593 0.711 . . . . 75.53 111.21 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.75 81.68 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.706 2.271 . . . . 64.44 112.309 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 18.5 tptp -139.28 130.76 27.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.236 -0.438 . . . . 64.23 110.98 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 8.9 m -63.39 158.52 20.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.298 -0.41 . . . . 31.42 110.868 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 72.3 t80 -167.12 111.54 0.73 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.948 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.34 -179.15 6.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.125 -0.489 . . . . 73.12 111.063 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -141.88 164.08 31.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.898 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 14.7 t30 -116.43 94.9 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 75.31 110.828 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -110.9 176.23 5.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 70.54 110.856 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.0 p -124.93 132.39 53.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 72.12 111.161 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 11.1 tppt? -141.37 70.91 26.93 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.595 0.712 . . . . 74.1 110.868 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.89 -37.26 9.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.672 2.248 . . . . 74.22 112.31 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -146.73 140.38 25.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.429 . . . . 71.11 110.931 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -83.72 -68.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.258 -0.428 . . . . 71.23 110.842 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 36.4 mtt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 62.33 110.91 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.9 mtt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.729 0.3 . . . . 73.24 110.802 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -119.17 133.07 55.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 74.52 110.972 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.7 mp0 54.97 57.35 5.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 73.15 110.949 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 73.6 mt-30 -78.42 150.87 32.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 71.21 110.918 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.1 t -144.0 148.75 18.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 53.43 111.142 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.8 p -93.23 45.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 64.12 110.843 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -149.43 170.23 19.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.886 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.501 ' O ' HG23 ' A' ' 77' ' ' ILE . 19.8 m -76.17 159.13 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 62.11 111.118 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.36 153.53 38.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 75.42 110.828 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.613 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -104.55 127.05 52.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 74.21 111.109 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 43.1 mtt180 -105.89 103.68 13.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 75.01 110.866 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.651 HG12 HD23 ' A' ' 32' ' ' LEU . 46.1 mt -99.27 134.75 37.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 75.52 111.115 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 30.5 t80 -139.87 140.03 36.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 70.23 110.87 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.414 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 5.6 ptmt -109.34 89.68 7.41 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.609 0.718 . . . . 65.4 110.921 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 53.8 Cg_endo -69.81 -23.46 30.56 Favored 'Trans proline' 0 N--CA 1.465 -0.178 0 C-N-CA 122.705 2.27 . . . . 53.24 112.35 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -83.15 127.38 33.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 70.53 111.105 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -105.58 -47.92 3.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 73.3 110.888 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.8 p -109.76 173.63 6.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 73.42 110.912 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.9 147.83 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 75.05 111.168 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.4 tpp -100.63 120.59 40.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 73.42 110.857 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 38.3 tt0 -107.18 -56.63 2.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 62.42 110.919 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.2 m -72.5 158.57 35.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 61.11 110.858 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.59 124.75 3.25 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.667 -0.778 . . . . 74.44 112.524 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -99.33 -30.52 12.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.842 0.354 . . . . 75.15 110.869 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 28.6 t -98.27 28.79 3.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 64.54 110.862 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.4 mmtp -114.64 91.56 3.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 74.52 110.881 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.3 mt -106.72 -42.18 5.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 71.41 110.93 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 23.5 ttpp -52.35 147.86 7.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 71.44 110.943 179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -148.85 -42.16 0.15 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 50.21 111.113 179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 56.5 m95 -102.61 148.48 25.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 63.42 110.895 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 140.36 49.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 72.03 110.908 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.651 HD23 HG12 ' A' ' 12' ' ' ILE . 3.3 tm? -135.46 129.13 32.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.269 -0.423 . . . . 71.25 110.9 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' N ' HD13 ' A' ' 32' ' ' LEU . 48.2 tt0 -131.87 109.84 10.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 64.2 110.914 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -91.93 136.59 33.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.81 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -58.45 136.3 85.63 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.692 0.758 . . . . 71.31 110.902 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 124.75 11.41 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 72.51 112.364 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.7 t -98.33 -64.84 1.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 72.52 110.816 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 t -135.63 143.87 45.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 73.42 110.904 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -73.43 156.09 38.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 73.31 111.151 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 57.15 38.94 29.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.428 . . . . 61.32 110.898 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -61.81 174.87 0.73 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.159 -0.473 . . . . 75.15 110.892 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.4 m -86.84 102.56 14.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 61.21 111.158 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -51.7 156.84 2.14 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.656 0.741 . . . . 73.04 110.895 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 176.25 7.01 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.701 2.267 . . . . 75.43 112.336 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 16.0 tp -67.64 145.66 54.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 70.02 110.86 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 4.3 ptt? -58.38 130.24 45.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 73.05 110.943 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -131.39 126.1 34.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.435 . . . . 72.42 110.882 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.9 t90 -114.87 -26.39 7.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 71.04 110.898 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -52.34 -31.31 32.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.314 -0.403 . . . . 75.41 111.126 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -177.48 -161.0 25.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.788 -0.72 . . . . 61.42 112.478 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 8.5 p 53.78 33.44 16.92 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.902 0.382 . . . . 74.34 110.847 -179.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 31.9 p80 -81.85 -30.37 32.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 75.24 110.901 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.36 -45.31 65.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 65.0 110.875 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.2 m -91.66 123.08 34.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 71.33 111.163 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -160.02 133.38 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 65.04 110.833 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 57.83 33.11 22.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 64.23 110.855 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -122.64 128.26 50.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 53.3 110.946 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 19.8 m -57.51 -34.3 46.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 72.51 111.082 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 28.1 p -84.22 136.04 34.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 70.11 110.904 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.575 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tp -116.91 126.79 53.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.878 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.0 m -95.63 165.63 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 64.02 110.853 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.575 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 35.4 m-85 -148.06 141.13 24.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 75.13 110.909 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.51 -46.74 78.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.23 111.174 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -135.11 150.1 50.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.219 -0.446 . . . . 73.44 111.143 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.1 OUTLIER -52.31 -38.01 57.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 72.32 110.888 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 77.7 mm-40 -53.41 -31.42 44.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 74.54 110.939 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.441 HD23 ' HD1' ' A' ' 62' ' ' PHE . 7.1 tp -77.72 -38.28 47.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 73.3 110.905 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.12 -65.11 0.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.132 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.1 mp -51.79 -34.79 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 71.24 111.096 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -59.29 -33.21 70.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 71.4 111.118 179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.468 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 9.7 t80 -75.41 -52.5 10.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 75.15 110.901 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.85 -51.19 70.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 42.51 111.109 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 69' ' ' ILE . 98.1 t -58.15 -31.97 43.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 74.5 111.137 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.68 -29.96 20.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 75.32 111.125 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -121.39 25.53 9.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.86 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt 51.94 33.13 11.09 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 64.5 110.887 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.501 HG23 ' O ' ' A' ' 8' ' ' VAL . 75.9 mt -82.73 137.18 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 65.24 111.128 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -71.49 106.99 4.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 61.41 110.876 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.542 ' CE2' HG23 ' A' ' 69' ' ' ILE . 45.2 p90 -100.44 138.35 37.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 61.11 110.93 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -115.2 132.68 56.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.508 . . . . 54.43 111.139 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.415 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.1 m -98.26 119.28 46.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 72.4 111.115 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 92.5 mt -109.26 122.9 48.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 74.24 110.903 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -123.83 135.42 53.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 74.12 110.844 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -65.09 126.7 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.85 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 58.43 72.61 0.83 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 74.41 110.879 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.38 69.06 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 73.43 112.363 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 59.3 ttt180 -153.44 135.01 14.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 73.11 110.859 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 87.6 m -65.59 122.67 17.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 63.12 111.198 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.443 HG22 ' HD3' ' A' ' 91' ' ' PRO . 37.8 mt -78.84 140.62 16.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 75.45 111.16 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 m -115.66 71.27 3.6 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.585 0.707 . . . . 73.31 111.114 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.443 ' HD3' HG22 ' A' ' 89' ' ' ILE . 52.8 Cg_endo -69.71 94.44 0.53 Allowed 'Trans proline' 0 C--O 1.233 0.233 0 C-N-CA 122.709 2.273 . . . . 43.23 112.391 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -52.43 111.89 0.72 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 53.3 110.877 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 70.5 m -160.42 165.05 31.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 71.41 110.851 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -158.07 114.99 2.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.12 -0.491 . . . . 71.52 110.934 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -89.69 -178.14 5.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 63.22 111.029 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -147.88 175.97 10.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 75.34 110.834 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -151.97 106.8 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 64.24 110.835 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -100.38 120.57 40.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 71.22 110.911 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.1 p -76.07 170.94 15.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 55.24 111.137 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 6.9 ttpm? -165.78 71.75 1.28 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.538 0.685 . . . . 71.45 110.935 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -69.84 131.31 20.86 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.642 2.228 . . . . 75.41 112.31 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.05 179.26 4.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 65.23 110.918 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -87.65 153.1 21.64 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 71.41 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.2 tmm? . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 61.23 110.933 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 ttt . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.699 0.285 . . . . 74.25 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -126.53 157.42 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 72.45 110.87 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.0 mp0 -120.89 158.06 28.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.128 -0.487 . . . . 65.12 110.879 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -161.47 137.01 7.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.119 -0.492 . . . . 74.55 110.97 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.98 141.6 45.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 75.25 111.111 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.9 t -65.79 101.95 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 71.42 110.821 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -135.14 158.16 45.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.822 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.614 ' O ' HG23 ' A' ' 77' ' ' ILE . 30.0 m -110.04 171.17 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 71.41 111.212 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -131.61 149.45 52.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.88 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.39 129.13 53.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.439 . . . . 73.54 111.109 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 mpt_? -108.01 104.21 13.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 53.23 110.943 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.548 HG12 HD23 ' A' ' 32' ' ' LEU . 34.5 mt -97.69 121.95 48.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 65.14 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -118.6 137.97 52.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.184 -0.462 . . . . 75.4 110.877 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 tmtt? -108.52 89.63 6.31 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.529 0.68 . . . . 72.14 110.933 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 154.43 67.71 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.693 2.262 . . . . 74.41 112.368 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -112.54 154.92 25.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 42.05 111.166 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.52 146.07 41.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 62.23 110.864 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 9.6 t -119.47 152.95 36.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.435 . . . . 63.43 110.869 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 74.9 p -53.95 -43.9 70.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 74.1 111.162 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 2.6 ttt -102.72 104.2 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 71.45 110.887 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 12.7 mp0 -83.04 -71.24 0.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 74.24 110.878 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m 57.5 34.36 24.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 44.21 110.862 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.46 -53.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 71.01 112.474 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 24.1 m80 56.85 50.23 12.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.343 . . . . 75.22 110.833 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 17.3 m -103.8 74.29 1.22 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.84 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.53 -18.04 65.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 75.01 110.864 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.478 ' O ' HG23 ' A' ' 63' ' ' THR . 6.3 mp -52.03 -39.28 59.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 63.5 110.948 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 15.5 pttt -117.3 122.11 43.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 72.31 110.814 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -117.96 -29.95 5.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 75.22 111.105 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 47.0 m95 -111.79 151.31 29.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.262 -0.426 . . . . 74.32 110.916 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -108.28 144.74 35.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 52.31 110.93 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.562 HD13 ' N ' ' A' ' 33' ' ' GLU . 2.2 tm? -139.53 127.74 22.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.226 -0.443 . . . . 54.34 110.929 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.562 ' N ' HD13 ' A' ' 32' ' ' LEU . 7.1 tp10 -131.37 106.64 8.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 53.51 110.896 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 47.9 p90 -92.74 137.36 32.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.24 110.904 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -57.95 136.41 83.74 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.645 0.736 . . . . 74.34 110.902 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 136.72 33.59 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.7 2.267 . . . . 71.2 112.357 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.9 m -171.64 177.91 3.28 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.238 -0.437 . . . . 34.01 110.814 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 20.3 p -64.61 169.17 5.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.508 . . . . 74.21 110.872 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.2 t -171.58 164.65 6.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 71.44 111.189 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -77.78 -179.56 6.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 63.33 110.837 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 45.1 p90 -83.25 142.95 30.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.143 -0.481 . . . . 71.3 110.941 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 43.5 p -110.46 160.32 16.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 60.12 111.154 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -119.37 160.5 41.37 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.588 0.708 . . . . 74.21 110.938 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 155.17 66.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.673 2.249 . . . . 71.11 112.349 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -58.64 155.08 13.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.33 110.911 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.9 tmm? -124.52 105.29 9.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 51.31 110.826 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 15.7 t30 54.95 36.12 26.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 73.24 110.85 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 3.5 t90 58.96 42.13 19.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 75.21 110.847 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -142.7 138.08 30.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 64.33 111.166 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 108.55 -74.88 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.748 . . . . 73.2 112.43 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.1 p -125.48 -179.83 4.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.902 0.382 . . . . 75.54 110.865 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -81.24 -178.91 7.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 71.1 110.919 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -62.1 169.38 2.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.255 -0.429 . . . . 71.33 110.824 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -78.14 89.96 4.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 33.53 111.149 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 24.7 mtmm -149.84 165.81 31.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.27 -0.423 . . . . 53.1 110.954 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -158.82 128.07 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 74.22 110.926 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -136.14 161.81 34.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 61.41 110.947 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 25.7 t -62.57 -40.65 89.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 73.33 111.133 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.3 t -114.74 147.59 39.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.946 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.645 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.9 tp -118.14 125.62 50.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 63.11 110.907 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.0 p -99.14 161.99 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.225 -0.443 . . . . 65.14 110.818 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.645 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 32.2 m-85 -145.18 162.31 37.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 75.24 110.85 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -79.69 -46.93 16.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.476 . . . . 74.15 111.199 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.8 p -134.39 161.36 35.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 64.12 111.084 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.703 ' O ' HD12 ' A' ' 69' ' ' ILE . 8.3 ptp180 -59.51 -39.43 83.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.02 110.853 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tm-20 -51.68 -31.6 26.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 72.51 110.872 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 5.8 mt -74.82 -38.05 62.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 73.43 110.934 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.98 -64.07 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 51.31 111.08 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mp -51.97 -34.77 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 74.33 111.155 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.97 -37.48 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 62.15 111.131 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.465 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 5.0 t80 -67.83 -50.23 57.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 74.43 110.892 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.41 11.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 63.23 111.127 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 69' ' ' ILE . 95.9 t -51.66 -29.99 10.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 70.04 111.135 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.71 -29.92 20.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 70.14 111.159 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 54.3 t60 -124.79 26.03 7.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.34 110.867 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 2.5 mptp? 51.8 45.67 27.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 73.53 110.869 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.614 HG23 ' O ' ' A' ' 8' ' ' VAL . 62.5 mt -95.5 140.97 15.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.05 111.13 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.36 104.5 3.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 61.23 110.808 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.499 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 49.4 p90 -100.1 136.36 40.12 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 64.01 111.002 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.5 t -115.79 123.73 48.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 61.02 111.131 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.417 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.3 m -96.66 119.29 44.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 62.13 111.126 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 59.4 tp -109.29 115.11 29.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.142 -0.481 . . . . 55.03 110.867 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -128.8 140.07 51.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.52 110.942 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -96.43 150.9 20.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 71.33 110.854 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 54.46 69.85 1.94 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.67 0.748 . . . . 65.01 110.902 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.87 100.74 0.85 Allowed 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.656 2.237 . . . . 74.0 112.322 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.67 153.46 30.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 73.42 110.894 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 55.1 p -116.97 165.84 12.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 74.1 111.185 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.472 HG22 ' HD3' ' A' ' 91' ' ' PRO . 40.8 mt -109.56 139.67 31.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 74.13 111.143 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.5 m -118.11 73.2 9.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.633 0.73 . . . . 72.0 111.136 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.472 ' HD3' HG22 ' A' ' 89' ' ' ILE . 53.8 Cg_endo -69.75 136.84 34.05 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.748 2.299 . . . . 72.25 112.353 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 92.89 8.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 54.51 110.915 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 12.5 t -82.37 108.37 15.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 71.41 110.865 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -154.29 115.63 4.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.117 -0.492 . . . . 73.03 110.904 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.34 63.78 7.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 71.42 111.037 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -79.25 81.73 5.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.221 -0.445 . . . . 72.52 110.843 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -138.21 140.2 39.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 75.12 110.878 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 p90 -141.84 155.5 45.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 73.11 110.818 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 81.0 p -127.86 175.06 8.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.057 -0.52 . . . . 72.34 111.134 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.24 155.05 68.16 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.625 0.726 . . . . 71.04 110.859 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.74 142.7 48.72 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.691 2.261 . . . . 45.13 112.358 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -88.09 -179.24 6.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 70.32 110.927 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -123.25 166.26 15.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 74.3 110.9 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 11.4 ttm . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 52.23 110.874 179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.458 -0.061 0 CA-C-O 120.74 0.305 . . . . 71.44 110.887 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -62.67 107.27 0.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 62.41 110.87 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -121.83 88.87 3.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 64.2 110.843 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -71.42 130.01 40.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 74.41 110.908 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.25 144.51 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 75.15 111.072 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 m -130.69 56.76 1.76 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.495 . . . . 33.31 110.849 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 48.2 m-80 -139.91 165.18 28.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 75.01 110.871 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.1 m -104.55 163.81 4.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 72.45 111.091 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 65.2 mtp180 -141.77 158.53 43.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 62.41 110.85 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.26 130.18 48.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 53.34 111.126 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.5 mtm-85 -112.32 103.95 12.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.187 -0.46 . . . . 52.23 110.846 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.625 HG12 HD23 ' A' ' 32' ' ' LEU . 53.4 mt -100.96 134.92 39.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 61.52 111.185 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 23.2 t80 -137.17 133.19 34.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 43.03 110.868 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.53 153.05 61.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.583 0.706 . . . . 64.0 110.862 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.512 ' HG3' ' HB1' ' A' ' 29' ' ' ALA . 53.5 Cg_endo -69.78 -174.0 0.83 Allowed 'Trans proline' 0 N--CA 1.465 -0.19 0 C-N-CA 122.678 2.252 . . . . 61.44 112.376 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.83 132.16 48.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 63.33 111.109 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 tppt? -78.17 70.18 4.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 64.45 110.903 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 3.8 t -162.4 159.34 25.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.835 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -110.19 139.19 45.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 63.41 111.128 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.8 mmt -129.18 -57.32 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.897 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 19.7 mt-30 -153.1 139.18 18.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 51.14 110.917 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 13.3 t -89.35 -72.47 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.277 -0.42 . . . . 72.32 110.848 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.64 -105.93 0.38 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.77 -0.729 . . . . 52.52 112.442 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -114.85 167.17 11.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 70.35 110.836 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.6 t -113.14 43.96 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.845 -179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 11.7 tptm -113.93 51.82 0.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.135 -0.484 . . . . 74.25 110.925 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 28' ' ' LYS . 1.0 OUTLIER -145.79 141.42 27.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 60.35 110.914 179.88 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -65.61 122.48 17.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.154 -0.476 . . . . 75.25 110.882 179.846 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.512 ' HB1' ' HG3' ' A' ' 15' ' ' PRO . . . -114.75 -43.0 3.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.42 111.144 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -88.84 157.53 18.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.172 -0.467 . . . . 62.13 110.896 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.2 mttm -126.11 122.39 35.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.93 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.625 HD23 HG12 ' A' ' 12' ' ' ILE . 3.3 tm? -116.92 131.77 56.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.919 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' N ' HD13 ' A' ' 32' ' ' LEU . 46.2 tt0 -140.31 113.91 8.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 74.32 110.864 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 52.9 p90 -94.21 148.74 21.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 75.42 110.888 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.09 136.37 84.26 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.67 0.748 . . . . 63.31 110.853 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -171.62 0.49 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.269 . . . . 52.14 112.328 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 m 60.71 50.55 5.46 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 63.24 110.838 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 22.9 m -66.67 97.88 0.48 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.155 -0.475 . . . . 75.21 110.905 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.3 t -92.49 -26.13 18.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 74.45 111.119 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tp60 -80.16 -54.85 5.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 63.2 110.949 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -107.5 98.43 8.05 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.255 -0.429 . . . . 74.35 110.885 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -124.18 47.01 2.15 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.07 -0.514 . . . . 53.31 111.139 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -125.12 160.52 54.3 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.607 0.717 . . . . 74.15 110.913 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 158.98 55.13 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.762 2.308 . . . . 75.33 112.291 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 58.5 tp -107.46 -33.63 7.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 72.12 110.906 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 15.7 ptp -149.43 144.93 26.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.15 -0.477 . . . . 74.02 110.874 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -131.86 113.91 14.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.189 -0.459 . . . . 72.13 110.858 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 14.6 t-105 -113.2 107.35 15.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 72.12 110.932 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 2.0 p 46.41 59.69 3.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 71.32 111.119 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.87 143.13 3.96 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 54.14 112.509 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 79.8 p -86.93 130.67 34.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.371 . . . . 74.33 110.797 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 9.0 t60 53.42 39.63 30.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 73.54 110.817 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -113.91 102.29 10.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.271 -0.422 . . . . 71.51 110.907 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.0 t -139.26 172.07 13.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 32.31 111.148 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -124.6 117.0 23.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 73.02 110.894 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -125.3 155.72 39.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 62.23 110.905 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -141.89 136.48 30.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 72.5 110.845 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 17.9 m -54.31 -33.66 26.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 63.44 111.128 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 21.5 p -131.67 142.4 49.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 74.21 110.889 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.763 HD11 ' CE2' ' A' ' 62' ' ' PHE . 2.2 pp -137.87 172.47 12.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 54.24 110.914 -179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.515 ' N ' HD12 ' A' ' 60' ' ' LEU . 29.4 m -127.46 147.81 50.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 74.34 110.859 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.763 ' CE2' HD11 ' A' ' 60' ' ' LEU . 18.0 m-85 -123.33 165.85 16.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 72.21 110.902 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 m -82.73 -46.7 12.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.145 -0.479 . . . . 60.53 111.142 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 52.1 p -133.74 159.04 41.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 74.13 111.155 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.681 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -58.11 -41.18 83.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 64.33 110.882 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.513 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 2.5 mt-10 -51.58 -30.45 20.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.201 -0.454 . . . . 65.14 110.916 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.2 mt -78.53 -39.64 37.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.162 -0.472 . . . . 75.11 110.908 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.44 -65.94 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 65.41 111.102 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.681 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.4 mp -51.52 -34.86 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 70.0 111.143 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -52.82 -41.31 64.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.106 -0.497 . . . . 51.33 111.149 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.517 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 17.1 t80 -65.7 -53.54 39.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 72.54 110.934 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.22 -55.58 31.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.063 -0.517 . . . . 64.41 111.046 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 69' ' ' ILE . 91.6 t -52.34 -32.19 15.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 75.34 111.146 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.86 -33.47 36.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.141 -0.481 . . . . 72.22 111.124 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -123.48 24.72 8.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.289 -0.414 . . . . 74.44 110.886 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 26.9 mtmt 51.92 34.5 13.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 74.51 110.881 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 69.0 mt -79.46 140.05 17.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 74.44 111.142 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.08 104.09 3.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 71.2 110.856 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.457 ' CE2' HG23 ' A' ' 69' ' ' ILE . 50.4 p90 -100.21 133.22 44.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 71.31 110.913 -179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.8 t -108.7 131.57 54.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.114 -0.493 . . . . 63.24 111.167 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 81' ' ' VAL . 17.3 m -94.82 121.58 45.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.295 -0.411 . . . . 72.15 111.145 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 82.0 mt -108.45 121.44 44.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.964 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -106.87 161.34 14.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.227 -0.442 . . . . 74.41 110.948 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -63.06 121.66 14.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 63.44 110.916 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.0 t-20 -123.62 73.36 52.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.712 0.767 . . . . 61.4 110.89 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 178.82 4.19 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.699 2.266 . . . . 65.12 112.323 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -83.99 122.41 28.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 71.02 110.873 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 2.6 m -123.04 116.67 23.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 70.24 111.156 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 39.0 pt -53.62 140.92 9.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 74.11 111.16 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.484 ' O ' HG13 ' A' ' 90' ' ' VAL . 4.0 p -130.54 77.92 75.0 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.561 0.696 . . . . 72.51 111.116 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 148.72 65.95 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.714 2.276 . . . . 64.4 112.373 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.1 ptmt -80.91 128.95 34.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.279 -0.419 . . . . 74.35 110.873 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 p -170.77 140.52 1.67 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.169 -0.469 . . . . 34.11 110.849 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -173.32 131.57 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 60.13 110.949 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.08 102.0 3.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.508 . . . . 71.21 111.028 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -69.6 104.65 2.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.206 -0.452 . . . . 75.11 110.835 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -125.94 99.05 5.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 70.42 110.872 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -114.05 143.65 44.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.138 -0.483 . . . . 73.54 110.898 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 94.9 m -140.2 133.12 29.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 63.41 111.178 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 9.2 pttt -158.4 157.6 29.01 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.528 0.68 . . . . 74.44 110.917 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 178.7 4.29 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.626 2.217 . . . . 71.12 112.365 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 28.8 ttp180 -147.84 150.5 34.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 73.32 110.885 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -91.3 161.76 14.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 74.04 110.865 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.41 110.922 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mtm . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.719 0.295 . . . . 64.41 110.852 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -87.03 97.03 10.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 72.24 110.918 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -133.74 179.16 6.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.206 -0.452 . . . . 63.41 110.959 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -117.31 127.73 54.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 73.43 110.885 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 35.4 t -113.2 106.32 20.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 65.22 111.13 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.8 t -65.52 -72.48 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 74.13 110.816 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -60.69 139.43 57.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 72.51 110.87 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.662 HG12 ' OE2' ' A' ' 35' ' ' GLU . 6.5 m -57.52 -178.1 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 54.41 111.215 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -143.15 147.84 35.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 73.34 110.917 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.812 ' HB2' ' CE1' ' A' ' 34' ' ' PHE . . . -117.32 156.75 27.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 52.22 111.091 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.8 ttm-85 -121.74 102.74 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 73.14 110.874 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.625 HD12 ' CD2' ' A' ' 79' ' ' TYR . 86.6 mt -97.54 125.65 50.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 70.03 111.086 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.486 ' CE2' HD22 ' A' ' 82' ' ' LEU . 24.8 t80 -124.73 144.42 50.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 70.01 110.861 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 21.9 tptp -115.82 89.6 24.42 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.553 0.692 . . . . 63.14 110.889 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 134.86 28.99 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.656 2.237 . . . . 73.45 112.35 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -75.61 165.6 24.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 53.11 111.062 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.24 41.08 2.7 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.154 -0.476 . . . . 74.22 110.873 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.4 t -96.69 35.63 1.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 71.43 110.818 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -93.33 142.51 27.24 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.087 -0.506 . . . . 73.22 111.127 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.6 mmm -111.07 -51.87 2.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.831 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -71.96 133.18 45.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.265 -0.425 . . . . 71.35 110.938 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 58.4 m 59.64 31.8 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 73.13 110.841 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -53.33 137.11 38.52 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 62.54 112.427 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -138.14 171.57 14.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.819 0.343 . . . . 75.35 110.859 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 6.0 m -154.36 177.95 10.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.132 -0.486 . . . . 64.21 110.845 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.54 68.57 0.84 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.886 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -168.12 179.38 4.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 62.24 110.961 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 147.92 6.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 65.03 110.865 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -120.59 -33.29 3.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 73.11 111.101 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 39.0 m95 -102.82 157.7 16.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 75.24 110.93 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.4 mptm? -120.56 145.27 47.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 72.33 110.911 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.824 HD11 ' CD2' ' A' ' 34' ' ' PHE . 2.0 tm? -137.71 127.52 25.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.924 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.601 ' N ' HD22 ' A' ' 32' ' ' LEU . 40.4 mm-40 -130.49 101.46 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 75.15 110.95 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.824 ' CD2' HD11 ' A' ' 32' ' ' LEU . 5.4 m-85 -84.65 144.65 28.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 74.23 110.868 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.662 ' OE2' HG12 ' A' ' 8' ' ' VAL . 11.6 pt-20 -64.25 154.64 82.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.651 0.739 . . . . 73.13 110.84 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 107.6 1.89 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.255 . . . . 52.33 112.408 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 4.8 t -92.67 -41.75 10.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 53.42 110.819 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.6 m -136.5 178.55 6.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.906 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -114.31 -51.82 2.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 61.51 111.199 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -66.01 155.29 37.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 74.35 110.905 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -127.3 131.09 50.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.943 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 57.9 p -70.74 173.77 6.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.061 -0.518 . . . . 74.52 111.121 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -51.65 156.82 2.11 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.695 0.76 . . . . 75.33 110.903 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 102.01 0.98 Allowed 'Trans proline' 0 C--O 1.233 0.228 0 C-N-CA 122.682 2.255 . . . . 73.11 112.332 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.9 tp -146.69 122.73 10.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 75.41 110.961 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 20.7 mtp -149.94 158.0 43.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 75.1 110.882 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -73.97 -55.22 6.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 53.45 110.93 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -123.86 109.67 13.9 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.156 -0.474 . . . . 75.53 110.885 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 5.2 p -97.08 -64.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.248 -0.433 . . . . 65.14 111.079 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.65 -159.37 53.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 62.32 112.452 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 23.0 t -85.79 93.47 8.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 74.12 110.824 -179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -82.04 147.08 29.34 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 75.32 110.804 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -107.15 -50.28 3.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.188 -0.46 . . . . 72.02 110.932 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.0 p -125.1 155.04 40.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 74.22 111.088 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 9.1 ttmm -66.73 120.41 13.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.845 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.81 102.99 11.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.95 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -123.56 -36.08 2.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 65.33 110.97 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.6 m -110.98 -27.42 2.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.32 111.115 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 15.2 p -112.99 123.89 51.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.892 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.486 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 14.2 tp -126.38 131.44 51.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 75.33 110.892 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 3.6 p -100.2 158.72 15.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 73.3 110.85 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.486 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 46.9 m-85 -137.95 164.7 28.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.096 -0.502 . . . . 71.1 110.911 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.17 -50.36 7.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.195 -0.457 . . . . 61.34 111.207 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 1.2 p -130.15 159.81 35.68 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.166 -0.47 . . . . 71.44 111.124 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.477 ' O ' HD12 ' A' ' 69' ' ' ILE . 12.0 ptm180 -58.24 -39.28 78.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.86 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.507 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 27.6 mt-10 -52.44 -30.03 27.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 73.21 110.877 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.439 HD23 ' HD1' ' A' ' 62' ' ' PHE . 4.5 tp -82.65 -37.04 25.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 75.5 110.883 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.55 -65.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 72.13 111.125 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.586 HG23 ' CZ ' ' A' ' 79' ' ' TYR . 4.5 mp -52.43 -34.13 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -56.06 -31.39 63.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 65.41 111.15 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.51 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.6 OUTLIER -73.35 -53.09 11.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 72.15 110.928 -179.871 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.03 -55.14 37.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.058 -0.519 . . . . 73.52 111.098 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 89.1 t -54.26 -27.99 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 62.21 111.144 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.04 -34.67 30.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 61.25 111.097 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.9 m-70 -126.94 27.5 5.97 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.155 -0.475 . . . . 75.11 110.885 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt 51.84 40.6 28.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 72.22 110.885 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.465 HG21 ' HE1' ' A' ' 34' ' ' PHE . 59.5 mt -83.59 137.34 21.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.257 -0.428 . . . . 55.54 111.144 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -74.24 97.95 3.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.943 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.625 ' CD2' HD12 ' A' ' 12' ' ' ILE . 54.8 p90 -99.87 139.13 35.98 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.187 -0.461 . . . . 75.23 110.888 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.5 t -104.21 130.93 51.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.106 -0.497 . . . . 74.35 111.123 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.11 116.22 38.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 53.43 111.175 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.486 HD22 ' CE2' ' A' ' 13' ' ' TYR . 0.6 OUTLIER -109.38 111.54 23.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.156 -0.474 . . . . 64.13 110.85 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -129.34 165.09 22.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 75.31 110.913 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -102.39 133.98 46.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 71.51 110.888 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 46.3 t-20 61.89 70.63 0.83 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.643 0.735 . . . . 61.44 110.838 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 119.05 6.06 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.714 2.276 . . . . 64.35 112.307 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -171.54 114.14 0.37 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 72.42 110.928 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.5 t -130.67 134.34 46.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 75.34 111.118 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 1.0 HG22 HG23 ' A' ' 90' ' ' VAL . 5.1 mp -94.52 141.5 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 64.11 111.138 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 1.0 HG23 HG22 ' A' ' 89' ' ' ILE . 22.1 t 54.49 70.86 1.5 Allowed Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 74.04 111.102 179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.27 69.45 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.721 2.281 . . . . 74.34 112.345 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -130.75 102.78 6.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 72.03 110.875 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.3 t -102.43 144.81 30.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 70.25 110.898 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -174.72 115.66 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 74.13 110.929 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.34 165.57 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.065 -0.516 . . . . 74.31 111.097 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -97.61 167.25 11.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 72.21 110.884 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -101.86 139.37 37.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 53.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 48.8 p90 -80.53 139.02 36.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 71.22 110.807 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.9 t -172.82 133.24 0.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.13 111.108 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? 55.51 70.93 1.38 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.636 0.731 . . . . 72.13 110.922 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 124.39 11.05 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.711 2.274 . . . . 73.1 112.324 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -54.69 104.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 63.31 110.846 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -147.76 140.07 24.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.236 -0.438 . . . . 75.51 110.911 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 70.1 mtm . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.41 110.842 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtp . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.72 0.295 . . . . 64.5 110.859 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -151.11 141.55 22.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 73.12 110.934 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -169.72 113.97 0.51 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.283 -0.417 . . . . 62.41 110.856 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -55.58 114.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 62.43 110.882 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.2 p -131.84 129.1 60.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 74.22 111.179 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 57.8 p -104.27 -29.86 10.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 63.31 110.87 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -86.8 -175.7 5.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 74.42 110.925 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.431 HG11 ' HB3' ' A' ' 37' ' ' SER . 28.0 m -111.4 179.63 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 63.52 111.134 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -141.53 155.32 45.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 73.42 110.897 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -103.57 118.99 38.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 64.35 111.106 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 39.6 ttm-85 -97.2 102.85 14.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 45.35 110.891 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.66 HG12 HD23 ' A' ' 32' ' ' LEU . 61.2 mt -105.46 136.7 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 64.22 111.067 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -165.08 149.66 9.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.187 -0.46 . . . . 74.43 110.936 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -108.43 89.91 6.52 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.488 0.661 . . . . 64.43 110.893 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -179.81 3.17 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.635 2.223 . . . . 53.22 112.357 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.83 165.24 20.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 74.4 111.106 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -71.58 179.07 3.19 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 74.33 110.939 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.9 m -146.15 174.56 11.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.435 . . . . 63.5 110.796 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.6 p -86.14 165.2 16.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 72.51 111.096 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.7 mtt 58.08 43.42 20.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.95 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 42.0 mt-30 -105.8 152.4 23.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 70.34 110.943 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.7 44.5 11.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 71.14 110.914 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.02 -95.88 2.27 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 21.43 112.503 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -127.4 34.73 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.766 0.317 . . . . 74.02 110.808 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 t -131.59 169.89 15.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 70.35 110.913 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -58.32 156.12 10.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 74.44 110.847 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.5 mp -89.26 132.72 34.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 74.42 110.887 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -141.81 123.72 15.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.83 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -117.33 -31.76 5.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 62.12 111.059 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -118.55 154.44 32.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 74.03 110.991 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.1 tptt -113.01 139.96 48.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.271 -0.422 . . . . 72.21 110.943 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.66 HD23 HG12 ' A' ' 12' ' ' ILE . 2.5 tm? -135.25 124.93 25.23 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.306 -0.407 . . . . 72.3 110.891 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.51 ' N ' HD22 ' A' ' 32' ' ' LEU . 24.8 mt-10 -128.87 104.61 7.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 72.24 110.848 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.429 ' O ' HG13 ' A' ' 58' ' ' VAL . 52.4 p90 -89.43 138.21 31.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 62.21 110.855 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.81 160.19 74.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 63.41 110.927 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 131.27 20.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.752 2.302 . . . . 74.41 112.338 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.431 ' HB3' HG11 ' A' ' 8' ' ' VAL . 3.5 p -110.16 170.96 7.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 73.13 110.859 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 5.5 m -90.34 67.91 6.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 65.44 110.887 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 p -74.38 171.49 13.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.093 -0.503 . . . . 71.22 111.148 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.1 tp60 -124.87 35.72 4.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 74.43 110.966 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 2.5 t80 62.55 36.45 13.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 70.33 110.944 -179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 m -123.9 70.52 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.085 -0.507 . . . . 65.12 111.126 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -126.78 72.17 74.71 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.602 0.715 . . . . 73.13 110.916 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 146.55 60.76 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.665 2.243 . . . . 52.13 112.378 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.446 ' H ' HD23 ' A' ' 45' ' ' LEU . 1.1 pt? -118.23 -175.1 2.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.249 -0.432 . . . . 65.03 110.901 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 3.6 ttp -126.07 -62.1 1.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.86 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 21.2 p30 -62.4 175.13 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 74.54 110.871 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 6.2 m0 -100.66 155.49 17.86 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.156 -0.474 . . . . 72.21 110.921 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.6 p -82.63 158.49 22.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 23.54 111.112 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -98.79 -143.44 14.81 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 73.15 112.499 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.5 m -123.87 100.16 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.94 0.4 . . . . 54.2 110.867 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 14.5 p80 -145.34 161.63 39.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 62.11 110.866 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 34.7 t0 -77.5 -64.24 1.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 74.25 110.897 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 5.4 t -158.25 149.01 20.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 71.53 111.2 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 23.2 ttmt -153.1 124.31 7.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 71.22 110.898 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -63.44 133.38 53.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 64.02 110.947 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -84.39 -38.26 20.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 70.14 110.915 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 34' ' ' PHE . 38.7 t -52.23 -31.29 14.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 73.23 111.134 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 35.7 t -117.85 133.83 55.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 64.24 110.896 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.441 HD21 HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -150.61 171.42 17.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 64.21 110.944 -179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -127.54 132.04 49.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.13 110.886 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.64 ' CE1' HD12 ' A' ' 67' ' ' LEU . 22.8 m-85 -105.49 147.93 27.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.913 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 2.1 m -60.7 -52.39 65.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.54 111.086 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.45 173.09 7.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 70.12 111.127 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.621 ' O ' HD12 ' A' ' 69' ' ' ILE . 7.4 tmm_? -70.74 -50.54 35.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 75.51 110.842 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -51.91 -33.0 35.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.245 -0.434 . . . . 74.51 110.891 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.64 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -55.58 -45.42 77.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 70.53 110.874 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.08 -59.04 5.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 72.13 111.125 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.621 HD12 ' O ' ' A' ' 65' ' ' ARG . 4.2 mp -52.94 -40.21 35.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 61.33 111.128 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -56.57 -25.29 51.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 71.13 111.088 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.457 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 15.4 t80 -80.74 -53.44 6.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 72.41 110.918 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' HB1' ' HB ' ' A' ' 77' ' ' ILE . . . -60.66 -55.02 38.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 52.12 111.118 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 99.4 t -51.64 -31.32 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.218 -0.447 . . . . 61.54 111.145 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -51.78 -30.71 24.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 51.12 111.093 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -126.93 25.25 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 73.52 110.827 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 11.5 mptt 51.8 58.7 5.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 74.1 110.881 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.476 ' HB ' ' HB1' ' A' ' 72' ' ' ALA . 70.3 mt -106.9 143.38 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 74.4 111.156 179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -71.29 100.41 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 72.3 110.84 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.498 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 53.1 p90 -99.97 130.95 46.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 65.01 110.935 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.2 t -113.1 120.9 42.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 74.14 111.169 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.406 ' O ' HG23 ' A' ' 81' ' ' VAL . 16.9 m -94.08 119.93 42.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.273 -0.421 . . . . 70.03 111.158 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 3.0 mt -109.5 108.37 18.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 63.41 110.94 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -117.1 157.69 25.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 65.34 110.913 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -99.1 145.24 27.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 64.52 110.834 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 51.6 t30 56.43 68.62 2.13 Favored Pre-proline 0 C--N 1.331 -0.237 0 CA-C-O 121.635 0.731 . . . . 64.11 110.896 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 152.98 69.54 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.629 2.219 . . . . 65.31 112.35 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 42.5 mtt180 -77.39 152.77 34.22 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 65.44 110.851 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 91.3 m -141.63 127.81 19.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 73.43 111.105 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 46.6 pt -104.26 152.38 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 71.24 111.156 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.422 HG23 ' HD2' ' A' ' 91' ' ' PRO . 7.3 p -66.22 133.28 94.57 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.636 0.731 . . . . 72.54 111.123 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 90' ' ' VAL . 53.8 Cg_endo -69.85 147.62 62.67 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.681 2.254 . . . . 74.14 112.389 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 37.8 tttp -82.28 135.73 35.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 73.43 110.868 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.9 p -130.48 132.3 45.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.35 110.775 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -166.23 115.14 0.94 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.08 -0.509 . . . . 75.21 110.925 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -92.53 158.58 15.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.068 -0.515 . . . . 72.25 111.109 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -113.33 -178.45 3.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.414 . . . . 60.25 110.824 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.9 p-10 -104.98 177.34 4.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 72.42 110.891 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -151.38 176.6 11.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 62.35 110.928 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 11.9 t -172.06 138.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 73.2 111.166 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -81.01 160.04 66.96 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.519 0.675 . . . . 71.12 110.871 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 137.91 36.87 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.244 . . . . 71.24 112.393 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.27 71.88 1.82 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 74.33 110.865 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -174.64 136.8 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 71.22 110.847 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 47.2 ttp . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 74.54 110.85 -179.933 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mpt? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.659 0.266 . . . . 44.11 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -131.92 -50.56 0.96 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 74.03 110.901 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -96.48 95.76 8.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 73.44 110.874 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -97.91 135.14 40.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 44.1 110.948 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.6 m -134.05 -178.57 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 75.54 111.108 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 t -131.71 49.91 2.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 73.31 110.9 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 5.8 p-10 -157.62 153.55 27.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 65.04 110.892 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -120.92 176.27 4.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 54.03 111.132 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? -139.3 151.18 46.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 75.05 110.871 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.47 135.38 44.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.244 -0.435 . . . . 72.11 111.109 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -109.66 103.09 11.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.45 110.847 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.691 HG12 HD23 ' A' ' 32' ' ' LEU . 61.6 mt -101.97 139.61 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 75.03 111.183 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.45 ' CD1' HD23 ' A' ' 82' ' ' LEU . 9.2 t80 -140.57 130.13 24.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 61.22 110.938 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -77.15 153.03 82.29 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.564 0.697 . . . . 73.53 110.891 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 158.86 55.5 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.705 2.27 . . . . 74.22 112.283 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -94.27 140.15 30.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 74.13 111.157 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -77.18 121.64 23.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 64.42 110.956 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.3 p -105.01 160.07 15.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 63.23 110.909 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.0 m -78.63 80.11 5.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.504 . . . . 65.43 111.129 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 33.8 mtt 52.25 42.91 31.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.235 -0.439 . . . . 53.22 110.914 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 44.0 tt0 -117.1 61.09 0.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.477 . . . . 53.31 110.858 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.6 m -101.25 169.39 8.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 72.54 110.884 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -110.66 -167.56 19.23 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.795 -0.717 . . . . 73.15 112.485 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 8.9 t-80 -96.93 -45.13 6.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 73.12 110.917 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 48.1 m -116.6 81.88 1.7 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 75.52 110.842 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.5 tttm -110.9 77.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.077 -0.51 . . . . 73.34 110.878 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -60.63 -73.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 71.45 110.951 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 14.9 mmtm -66.24 129.3 39.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 54.01 110.885 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 63' ' ' THR . . . -120.13 -38.19 2.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 72.42 111.094 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -99.53 160.35 14.35 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.45 . . . . 75.12 110.903 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.2 mtpm? -110.97 140.93 45.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 53.42 110.871 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD23 HG12 ' A' ' 12' ' ' ILE . 3.4 tm? -139.88 128.61 23.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 75.21 110.87 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -138.58 107.53 6.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 61.32 110.899 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 32.8 p90 -92.91 138.66 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 74.14 110.858 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -61.48 160.19 26.9 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.651 0.739 . . . . 74.31 110.906 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 131.21 20.77 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.729 2.286 . . . . 72.52 112.304 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 9.5 p -92.94 -68.95 0.77 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.446 . . . . 72.12 110.866 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 47.7 t -124.59 134.77 52.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 65.44 110.825 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -86.09 94.88 9.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 73.11 111.122 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 42.6 tt0 -162.32 129.47 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 73.43 110.885 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 28.8 p90 -61.25 143.44 55.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 75.35 110.931 -179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.9 p -128.16 153.27 47.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 73.12 111.183 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -81.91 160.5 63.39 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 62.43 110.885 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 156.48 63.28 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 61.43 112.346 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.405 HD23 ' C ' ' A' ' 45' ' ' LEU . 9.5 tt -126.65 -55.16 1.42 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.229 -0.441 . . . . 71.21 110.946 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 23.1 mmm -65.41 155.36 35.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 74.1 110.888 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -86.56 98.62 11.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 62.52 110.899 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 76.4 m95 -88.2 157.87 18.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 61.12 110.838 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 67.2 p -93.2 -35.14 13.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 74.11 111.145 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -76.65 -138.17 0.85 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.781 -0.723 . . . . 74.53 112.508 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.5 m -62.82 172.25 1.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 65.25 110.893 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -112.14 34.62 4.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 74.13 110.949 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -144.58 132.89 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 70.22 110.846 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.1 p -150.09 170.4 18.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 71.11 111.151 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.49 144.04 44.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 73.3 110.876 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -60.11 138.01 57.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 74.23 110.952 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -112.19 156.79 21.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 64.42 110.939 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.4 m -112.98 -29.16 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 71.22 111.122 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 22.4 m -96.72 118.79 33.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 65.41 110.865 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -134.22 176.72 8.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 74.24 110.922 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 7.3 m -129.01 159.57 35.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 74.12 110.858 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.51 ' CE1' HD12 ' A' ' 67' ' ' LEU . 10.8 m-85 -139.77 156.24 46.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 71.05 110.937 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.513 ' O ' ' HB3' ' A' ' 29' ' ' ALA . 0.2 OUTLIER -54.99 -56.91 14.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 75.55 111.205 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 62.1 p -135.01 176.02 9.04 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 75.44 111.135 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.729 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -64.51 -40.49 95.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 62.41 110.9 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -51.98 -30.44 25.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 71.13 110.88 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.51 HD12 ' CE1' ' A' ' 62' ' ' PHE . 0.2 OUTLIER -71.66 -37.36 70.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.183 -0.462 . . . . 74.04 110.935 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.551 ' HB1' HG12 ' A' ' 12' ' ' ILE . . . -69.25 -60.26 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 71.21 111.132 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.729 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -54.62 -34.77 30.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 61.51 111.089 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -64.24 -30.14 71.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 64.13 111.076 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.503 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 13.0 t80 -76.38 -53.64 7.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 75.33 110.957 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.38 -53.76 54.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 73.02 111.167 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 69' ' ' ILE . 89.6 t -57.14 -30.63 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 75.22 111.075 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.503 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -52.1 -30.26 25.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 75.52 111.049 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -125.72 26.41 6.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 75.54 110.841 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.96 53.36 12.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.454 . . . . 65.33 110.911 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 61.7 mt -104.87 142.73 17.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 71.55 111.121 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -75.7 107.0 7.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.104 -0.498 . . . . 65.32 110.886 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.534 ' CZ ' HG23 ' A' ' 69' ' ' ILE . 52.4 p90 -100.8 136.83 40.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 74.12 110.931 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.52 122.66 42.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 74.24 111.169 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 60.1 t -91.07 129.26 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 61.14 111.096 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.45 HD23 ' CD1' ' A' ' 13' ' ' TYR . 65.6 tp -105.21 130.47 53.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.18 -0.463 . . . . 74.45 110.911 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -130.11 109.35 10.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.872 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -91.57 142.32 27.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.101 -0.5 . . . . 53.12 110.837 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 53.21 69.33 2.35 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.677 0.751 . . . . 71.43 110.885 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 126.97 13.96 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.727 2.285 . . . . 64.11 112.368 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.9 tpt85 -89.66 135.73 33.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 71.02 110.827 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 4.1 m -88.31 109.39 19.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 74.33 111.147 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 34.6 pt -67.06 146.58 13.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 73.42 111.102 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.427 HG23 ' HD2' ' A' ' 91' ' ' PRO . 7.3 p -123.91 133.16 24.44 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.607 0.717 . . . . 71.42 111.124 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 90' ' ' VAL . 53.8 Cg_endo -69.67 125.25 11.97 Favored 'Trans proline' 0 N--CA 1.466 -0.146 0 C-N-CA 122.737 2.291 . . . . 64.02 112.331 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.7 177.68 3.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.197 -0.456 . . . . 52.15 110.899 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.2 p -140.62 -179.83 6.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 63.22 110.9 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 22.8 p90 -168.81 131.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 73.55 110.907 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.95 -33.5 11.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 62.23 111.098 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 41.84 39.6 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.927 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -87.1 159.03 19.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.856 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -113.76 176.64 4.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 60.41 110.887 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.3 p -109.3 42.57 1.43 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 73.42 111.17 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 36.4 tptt 58.58 71.26 1.02 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.646 0.736 . . . . 71.31 110.915 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 128.14 15.62 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.679 2.253 . . . . 64.32 112.336 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 79.6 mtt85 -96.41 145.78 25.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.24 -0.436 . . . . 62.11 110.852 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -138.42 146.39 42.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 62.22 110.865 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 29.4 mtm . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 74.21 110.848 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.731 0.301 . . . . 53.54 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -93.79 53.02 1.75 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 73.01 110.91 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -126.54 116.35 20.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.32 110.914 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.7 mt-30 -91.5 117.47 29.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 62.43 110.894 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.0 m -113.03 44.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.12 111.112 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.9 t -91.69 -53.66 4.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 35.22 110.864 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -111.93 137.15 50.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 54.11 110.88 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 28.8 m -59.9 175.47 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 63.23 111.088 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.8 ptt180 -136.26 152.73 51.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 74.31 110.874 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.621 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -101.98 119.05 38.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 61.51 111.094 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -97.43 102.88 14.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.804 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.588 HG12 HD23 ' A' ' 32' ' ' LEU . 61.3 mt -105.04 131.53 54.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.111 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -150.22 148.97 29.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 73.41 110.981 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 ttpp -108.89 89.97 7.12 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.565 0.697 . . . . 74.14 110.897 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 157.78 59.19 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.627 2.218 . . . . 71.12 112.268 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.49 156.24 13.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 71.24 111.116 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -84.29 -38.36 20.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 71.43 110.891 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.1 m -150.25 137.19 19.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 74.23 110.777 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.6 p -133.17 -66.95 0.64 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.098 -0.501 . . . . 75.04 111.111 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.9 mmt -64.08 -74.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 74.13 110.85 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -133.39 176.72 8.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 63.51 110.905 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.4 m -53.34 124.67 15.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.245 -0.434 . . . . 64.14 110.864 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -102.45 157.71 18.21 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.778 -0.725 . . . . 62.35 112.469 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 15.5 p80 -146.3 -179.69 6.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.832 0.349 . . . . 73.22 110.839 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.0 m 55.09 35.35 24.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 62.44 110.901 -179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -108.61 96.63 6.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 73.13 110.938 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.4 mt -93.3 -36.83 12.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.43 . . . . 74.22 110.897 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.02 157.15 23.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.159 -0.473 . . . . 71.41 110.935 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -124.31 -37.56 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 74.45 111.131 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.1 m95 -102.3 147.1 27.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.1 110.884 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -115.34 136.11 53.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 64.43 110.973 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.621 HD21 ' HB1' ' A' ' 10' ' ' ALA . 2.8 tm? -125.63 127.97 47.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.326 -0.397 . . . . 74.02 110.934 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.484 ' N ' HD22 ' A' ' 32' ' ' LEU . 5.5 tp10 -132.13 104.13 6.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 73.52 110.861 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -85.53 138.6 32.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 73.12 110.886 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -67.91 160.17 75.36 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.673 0.749 . . . . 72.42 110.818 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.83 158.28 57.38 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 70.41 112.273 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.7 p -119.89 161.39 20.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 74.23 110.879 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 24.9 m -115.25 146.43 41.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.146 -0.479 . . . . 65.25 110.914 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 p 49.87 36.58 11.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 65.1 111.145 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -143.56 146.3 33.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 61.13 110.921 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -73.55 170.3 15.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.23 -0.441 . . . . 75.23 110.918 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 12.7 p -96.69 11.74 34.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 61.23 111.172 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -177.3 70.7 0.23 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.679 0.752 . . . . 73.4 110.848 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -18.78 36.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.675 2.25 . . . . 64.22 112.383 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 38.0 tp -148.79 135.26 19.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 72.51 110.871 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 11.8 mtp -102.17 96.03 6.71 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.852 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -107.87 -34.9 6.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 60.5 110.822 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 73.2 t-105 -79.43 86.32 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 73.44 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -62.1 140.2 58.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 74.23 111.135 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 137.67 95.68 0.38 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 65.24 112.487 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.8 m -56.66 126.49 26.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 63.51 110.882 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -112.59 176.38 5.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 75.42 110.83 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -61.96 -179.54 0.21 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 74.0 110.852 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 69.9 p -95.59 44.39 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 72.3 111.166 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -117.39 138.08 52.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 60.54 110.893 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -88.79 86.19 6.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 70.31 110.896 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -89.12 134.45 34.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 73.2 110.89 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.9 m -102.05 -28.59 3.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 71.51 111.058 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 57.4 m -83.75 129.82 34.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 55.44 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.559 HD21 ' CZ ' ' A' ' 62' ' ' PHE . 13.5 tp -116.98 125.5 51.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.222 -0.445 . . . . 74.31 110.947 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.7 p -92.78 157.9 16.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 70.44 110.821 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.559 ' CZ ' HD21 ' A' ' 60' ' ' LEU . 27.7 m-85 -141.89 141.32 33.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.084 -0.507 . . . . 74.03 110.894 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.29 -41.03 67.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 74.51 111.16 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 p -136.29 149.15 48.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.444 . . . . 74.12 111.153 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.697 ' O ' HD12 ' A' ' 69' ' ' ILE . 1.0 OUTLIER -54.32 -41.38 68.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 55.23 110.877 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 11.8 pt-20 -51.53 -31.53 24.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 75.52 110.907 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.32 -37.52 32.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 75.11 110.912 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.16 -63.65 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.453 . . . . 42.03 111.093 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -53.88 -34.97 26.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 72.45 111.097 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.422 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -58.76 -22.9 59.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 73.24 111.137 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -80.07 -48.74 12.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 73.2 110.987 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.65 -53.36 42.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.019 -0.537 . . . . 71.11 111.092 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 97.4 t -51.6 -30.23 11.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 74.45 111.132 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -54.06 -27.43 32.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 72.4 111.066 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -125.94 24.77 6.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 75.23 110.781 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 51.67 39.52 25.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.277 -0.42 . . . . 74.23 110.944 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 70.4 mt -87.56 141.82 13.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 53.2 111.107 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 16.6 t0 -71.12 102.45 2.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 61.1 110.909 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.465 ' CE2' HG23 ' A' ' 69' ' ' ILE . 49.7 p90 -100.04 137.37 38.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 61.45 110.915 -179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.6 t -119.85 122.05 40.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 71.31 111.167 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.0 t -96.5 123.85 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.443 . . . . 71.33 111.097 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 43.8 tp -109.35 114.38 28.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.24 110.962 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 14.0 mp0 -98.34 150.21 21.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 73.51 110.839 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -117.43 121.71 41.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 72.31 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 34.8 t-20 60.38 70.81 0.94 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.593 0.711 . . . . 73.11 110.818 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -178.84 2.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.636 2.224 . . . . 73.33 112.362 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 16.3 ttt85 -162.03 149.23 14.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 63.02 110.847 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.9 m -53.04 115.61 1.95 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 74.2 111.14 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -71.5 178.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 62.34 111.149 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 90' ' ' VAL . 3.9 p -177.35 77.98 0.24 Allowed Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.638 0.732 . . . . 62.3 111.116 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 -176.89 1.64 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.679 2.253 . . . . 74.13 112.311 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -162.16 125.52 3.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.466 . . . . 65.13 110.954 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.4 t -133.97 -179.8 5.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.242 -0.435 . . . . 62.45 110.895 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -153.81 112.03 3.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.5 110.984 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.7 146.66 30.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 75.52 111.094 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -144.98 148.72 34.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 72.35 110.852 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -100.12 62.67 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.23 110.816 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -83.66 92.11 7.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 73.3 110.883 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.95 118.27 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 73.11 111.164 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -119.49 69.41 11.55 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.553 0.692 . . . . 72.11 110.872 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 112.95 3.22 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 64.13 112.301 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.26 87.77 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 73.33 110.854 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -167.53 159.03 11.85 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 72.33 110.886 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.9 ttt . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 73.42 110.907 179.934 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 tpp . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.705 0.288 . . . . 44.31 110.815 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.0 pt20 -107.01 162.73 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 74.23 110.939 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -140.22 177.51 7.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 63.32 110.894 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -78.95 151.34 31.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.12 -0.491 . . . . 61.4 110.941 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.6 p -146.49 134.67 15.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 71.05 111.143 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.4 p -107.11 -44.03 4.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 31.44 110.838 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -78.41 144.03 36.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 75.03 110.935 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.513 ' O ' HG23 ' A' ' 77' ' ' ILE . 33.5 m -74.47 -175.79 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 34.42 111.104 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 79.6 mtp180 -132.94 144.16 49.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.794 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' A' ' 32' ' ' LEU . . . -102.21 120.22 40.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 55.33 111.08 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -99.77 102.59 14.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 70.11 110.901 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.574 HG12 HD23 ' A' ' 32' ' ' LEU . 57.1 mt -103.02 129.74 54.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 54.24 111.16 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -147.11 149.06 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.926 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 15' ' ' PRO . 0.0 OUTLIER -116.97 90.39 32.68 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.543 0.687 . . . . 64.13 110.913 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 14' ' ' LYS . 54.7 Cg_endo -69.74 169.15 19.57 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.7 2.267 . . . . 72.34 112.376 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.97 154.22 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 75.4 111.148 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.9 ttpp -80.31 142.07 34.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 70.31 110.891 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 6.2 m -153.55 151.05 29.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 51.2 110.909 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.0 t -129.79 73.82 1.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 73.42 111.12 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.8 ttt -70.55 -51.19 30.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.293 -0.412 . . . . 70.3 110.81 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -149.04 145.98 27.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.308 -0.405 . . . . 75.22 110.951 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -148.64 166.49 28.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 51.21 110.887 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 133.89 101.56 0.74 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.671 -0.776 . . . . 55.11 112.443 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 12.0 t60 61.53 35.32 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.32 . . . . 73.21 110.845 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 5.8 p -123.83 158.55 31.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 64.22 110.844 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -82.21 143.53 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 54.54 110.844 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 35.6 mt -88.84 154.23 20.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 75.1 110.894 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.83 143.7 28.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 71.42 110.89 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -121.36 -37.08 2.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.435 . . . . 53.24 111.092 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 74.4 m95 -110.17 151.54 27.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.19 -0.459 . . . . 70.51 110.938 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -117.92 143.27 46.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 73.33 110.894 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.775 HD12 HD21 ' A' ' 60' ' ' LEU . 3.0 tm? -129.28 131.6 47.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 74.03 110.959 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.484 ' H ' HD22 ' A' ' 32' ' ' LEU . 4.8 tp10 -138.4 104.43 5.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.163 -0.471 . . . . 62.5 110.849 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 42.1 p90 -84.42 141.37 30.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 65.34 110.864 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -105.52 97.76 15.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.648 0.737 . . . . 64.01 110.936 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.77 145.3 56.68 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.711 2.274 . . . . 75.51 112.303 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.7 t -75.19 -47.13 29.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.232 -0.44 . . . . 71.42 110.902 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 25.4 p -127.65 162.61 26.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 65.52 110.858 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.5 t -120.46 155.52 33.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 60.22 111.193 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.2 tm0? -156.33 158.95 38.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.284 -0.416 . . . . 54.52 110.917 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -61.15 133.11 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 73.31 110.881 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 27.1 p -67.1 121.72 16.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 73.22 111.176 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -63.16 160.55 38.93 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.733 0.777 . . . . 75.33 110.833 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -22.0 32.81 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.7 2.267 . . . . 73.33 112.362 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.7 mp -86.66 106.91 17.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 63.4 110.915 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 6.0 mtp -131.92 171.1 13.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 65.4 110.899 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -64.77 -66.36 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 60.23 110.943 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 19.7 t-105 -155.07 153.98 31.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.162 -0.472 . . . . 70.33 110.982 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 1.2 p 46.7 73.48 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 75.32 111.152 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -152.5 29.09 0.86 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 72.45 112.449 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.2 p -75.02 -51.57 13.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.816 0.341 . . . . 75.42 110.815 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -140.55 114.6 9.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 72.14 110.836 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -163.04 111.28 1.27 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 62.41 110.878 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 27.6 m -60.67 -42.4 96.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.4 111.151 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.12 164.53 12.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.896 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -135.29 118.02 16.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 71.31 110.984 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.59 108.0 0.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 74.33 110.931 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 12.8 m -114.47 -30.51 2.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.264 -0.426 . . . . 74.25 111.18 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 18.5 p -123.03 154.9 37.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 53.22 110.87 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.775 HD21 HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -148.17 168.82 21.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 62.33 110.885 -179.903 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.6 p -116.58 167.77 10.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 53.24 110.848 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.458 ' CZ ' HD11 ' A' ' 60' ' ' LEU . 34.7 m-85 -144.04 129.89 19.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.097 -0.501 . . . . 75.21 110.855 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.5 m -56.16 -45.56 79.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 74.25 111.101 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -129.75 146.69 51.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 75.25 111.199 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.7 ' O ' HD12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -52.96 -40.99 64.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.885 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.46 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 6.5 mm-40 -52.72 -31.29 37.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 60.14 110.857 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.442 HD23 ' HD1' ' A' ' 62' ' ' PHE . 7.1 tp -75.51 -38.67 59.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.52 110.856 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.52 -64.45 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 54.44 111.08 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 65' ' ' ARG . 3.2 mp -52.41 -34.66 19.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 43.11 111.118 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 66' ' ' GLU . . . -55.39 -26.07 39.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.464 . . . . 72.12 111.072 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.473 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 38.0 t80 -77.99 -54.44 6.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 64.25 110.957 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.75 -54.22 49.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 61.31 111.148 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 94.1 t -52.45 -30.92 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.126 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' A' ' 71' ' ' TYR . . . -56.65 -25.43 53.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 71.21 111.125 179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -126.63 23.98 6.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 61.53 110.853 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? 51.96 38.67 24.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 54.31 110.843 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.513 HG23 ' O ' ' A' ' 8' ' ' VAL . 61.9 mt -88.86 140.24 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 71.31 111.129 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -71.24 104.8 3.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.196 -0.456 . . . . 73.42 110.878 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.459 ' CE2' HG23 ' A' ' 69' ' ' ILE . 52.6 p90 -99.93 133.12 44.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.959 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 5.1 t -112.63 125.3 54.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 63.32 111.099 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 18.6 m -98.03 123.12 50.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.465 . . . . 72.24 111.124 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 48.4 tp -109.46 114.42 28.06 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.22 -0.445 . . . . 63.14 110.952 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -125.81 143.33 51.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.486 . . . . 64.33 110.875 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -51.96 169.48 0.07 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.141 -0.481 . . . . 65.34 110.905 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -56.08 160.6 4.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.677 0.751 . . . . 63.43 110.899 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 141.73 45.89 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.686 2.257 . . . . 74.23 112.327 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 7.9 mmm180 -82.55 149.48 27.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 61.45 110.91 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 24.1 p -74.33 106.29 5.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 61.44 111.092 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.3 pt -78.12 171.14 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 53.33 111.065 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 m -149.78 69.56 9.32 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.606 0.717 . . . . 74.32 111.137 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 167.84 23.31 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.662 2.241 . . . . 72.42 112.348 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -126.48 139.76 52.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 72.34 110.896 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.3 m -88.72 151.67 22.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 62.45 110.878 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TYR . . . . . . . . . . . . . 31.6 p90 -165.38 121.78 1.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.143 -0.481 . . . . 55.21 110.906 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -85.01 145.42 27.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.037 -0.529 . . . . 72.34 111.087 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -114.61 158.92 21.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.221 -0.445 . . . . 74.41 110.937 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -67.73 111.2 4.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.227 -0.442 . . . . 73.34 110.85 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -58.14 160.14 5.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 75.4 110.917 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.6 p -134.26 131.86 38.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 75.31 111.126 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 12.6 pttp -51.64 156.99 2.02 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.531 0.682 . . . . 73.52 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -178.53 2.41 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.732 2.288 . . . . 72.11 112.341 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 38.2 ttm180 -61.3 132.19 52.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 64.54 110.839 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -82.58 60.93 5.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 72.34 110.913 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.2 ptt? . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 64.15 110.88 -179.992 . . . . . . . . 0 0 . 1 stop_ save_